2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

C125H182N20O4 — CID 157102771

IUPAC2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccccc3)n(CCCN3CCCCC3)c2c1.CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C33H49N5O.C32H47N5O.2C30H43N5O/c1-26(2)16-22-37(23-17-27(3)4)32(39)29-14-15-30-31(24-29)38(21-11-20-36-18-9-6-10-19-36)33(35-30)34-25-28-12-7-5-8-13-28;1-25(2)16-22-36(23-17-26(3)4)31(38)27-14-15-29-30(24-27)37(21-11-20-35-18-9-6-10-19-35)32(34-29)33-28-12-7-5-8-13-28;2*1-3-5-21-34(22-6-4-2)29(36)25-16-17-27-28(24-25)35(23-13-20-33-18-11-8-12-19-33)30(32-27)31-26-14-9-7-10-15-26/h5,7-8,12-15,24,26-27H,6,9-11,16-23,25H2,1-4H3,(H,34,35);5,7-8,12-15,24-26H,6,9-11,16-23H2,1-4H3,(H,33,34);2*7,9-10,14-17,24H,3-6,8,11-13,18-23H2,1-2H3,(H,31,32)
InChIKeyAFYLLSDHSMIWQO-UHFFFAOYSA-N
MW2028.97 g/mol
LogP27.65
Rot. Bonds53

About 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide

2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (PubChem CID 157102771) has the molecular formula C125H182N20O4 and a molecular weight of 2028.97 g/mol. Its IUPAC name is 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
PubChem CID157102771
Molecular FormulaC125H182N20O4
Molecular Weight2028.97 g/mol
Exact Mass2027.47
IUPAC Name2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
SMILESCC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccccc3)n(CCCN3CCCCC3)c2c1.CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1
InChIInChI=1S/C33H49N5O.C32H47N5O.2C30H43N5O/c1-26(2)16-22-37(23-17-27(3)4)32(39)29-14-15-30-31(24-29)38(21-11-20-36-18-9-6-10-19-36)33(35-30)34-25-28-12-7-5-8-13-28;1-25(2)16-22-36(23-17-26(3)4)31(38)27-14-15-29-30(24-27)37(21-11-20-35-18-9-6-10-19-35)32(34-29)33-28-12-7-5-8-13-28;2*1-3-5-21-34(22-6-4-2)29(36)25-16-17-27-28(24-25)35(23-13-20-33-18-11-8-12-19-33)30(32-27)31-26-14-9-7-10-15-26/h5,7-8,12-15,24,26-27H,6,9-11,16-23,25H2,1-4H3,(H,34,35);5,7-8,12-15,24-26H,6,9-11,16-23H2,1-4H3,(H,33,34);2*7,9-10,14-17,24H,3-6,8,11-13,18-23H2,1-2H3,(H,31,32)
InChIKeyAFYLLSDHSMIWQO-UHFFFAOYSA-N
XLogP27.65
TPSA213.60 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds53
Heavy Atoms149
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002028.97
LogP ≤ 527.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide with MolForge

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Related Compounds

STING agonist 2
CID 132000066
2-(4-Acetylphenylamino)-N,N-diisopentyl-1-(3-(piperidin-1-yl)propyl)-1H-benzo[d]imidazole-6-carboxamide
CID 10077773
1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenyl-1H-benzo[d]imidazole-5-carboxamide
CID 10288201
2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(4-methylpiperazin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 25217225
2-(4-acetylphenylamino)-3-(3-aminopropyl)-N,N-diisopentyl-3H-benzo[d]imidazole-5-carboxamide
CID 44432898
2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(methylamino)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432902
2-(4-acetylphenylamino)-3-(3-(diethylamino)propyl)-N,N-diisopentyl-3H-benzo[d]imidazole-5-carboxamide
CID 44432906
2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(pyrrolidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432909
2-(4-acetylphenylamino)-N,N-diisopentyl-3-(1-methylpiperidin-4-yl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432917
2-(3-acetylphenylamino)-N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432924
N,N-diisopentyl-2-(phenylamino)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432928
N,N-diisopentyl-3-(3-(piperidin-1-yl)propyl)-2-(4-propionylphenylamino)-3H-benzo[d]imidazole-5-carboxamide
CID 44432931

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide (CID 157102771) is 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(NCc3ccccc3)n(CCCN3CCCCC3)c2c1.CC(C)CCN(CCC(C)C)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.CCCCN(CCCC)C(=O)c1ccc2nc(Nc3ccccc3)n(CCCN3CCCCC3)c2c1.
What is the InChIKey of 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
The InChIKey is AFYLLSDHSMIWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49N5O.C32H47N5O.2C30H43N5O/c1-26(2)16-22-37(23-17-27(3)4)32(39)29-14-15-30-31(24-29)38(21-11-20-36-18-9-6-10-19-36)33(35-30)34-25-28-12-7-5-8-13-28;1-25(2)16-22-36(23-17-26(3)4)31(38)27-14-15-29-30(24-27)37(21-11-20-35-18-9-6-10-19-35)32(34-29)33-28-12-7-5-8-13-28;2*1-3-5-21-34(22-6-4-2)29(36)25-16-17-27-28(24-25)35(23-13-20-33-18-11-8-12-19-33)30(32-27)31-26-14-9-7-10-15-26/h5,7-8,12-15,24,26-27H,6,9-11,16-23,25H2,1-4H3,(H,34,35);5,7-8,12-15,24-26H,6,9-11,16-23H2,1-4H3,(H,33,34);2*7,9-10,14-17,24H,3-6,8,11-13,18-23H2,1-2H3,(H,31,32).
What are the key properties of 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide?
2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide has a molecular weight of 2028.97 g/mol, XLogP of 27.65, 53 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide;bis(2-anilino-N,N-dibutyl-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide);2-(benzylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 157102771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).