3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide

C26H43N5O2 — CID 142936690

IUPAC3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCCCn1c(NCCN(C)C=O)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21
InChIInChI=1S/C26H43N5O2/c1-7-8-14-31-24-18-22(25(33)30(15-11-20(2)3)16-12-21(4)5)9-10-23(24)28-26(31)27-13-17-29(6)19-32/h9-10,18-21H,7-8,11-17H2,1-6H3,(H,27,28)
InChIKeyCELTZQWZTNAOEW-UHFFFAOYSA-N
MW457.66 g/mol
LogP4.87
Rot. Bonds15

About 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide

3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide (PubChem CID 142936690) has the molecular formula C26H43N5O2 and a molecular weight of 457.66 g/mol. Its IUPAC name is 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
PubChem CID142936690
Molecular FormulaC26H43N5O2
Molecular Weight457.66 g/mol
Exact Mass457.34
IUPAC Name3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCCCn1c(NCCN(C)C=O)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21
InChIInChI=1S/C26H43N5O2/c1-7-8-14-31-24-18-22(25(33)30(15-11-20(2)3)16-12-21(4)5)9-10-23(24)28-26(31)27-13-17-29(6)19-32/h9-10,18-21H,7-8,11-17H2,1-6H3,(H,27,28)
InChIKeyCELTZQWZTNAOEW-UHFFFAOYSA-N
XLogP4.87
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.66
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-2-[3-(methylamino)-3-oxopropyl]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 143059829
N,N-bis(3-methylbutyl)-2-[3-(2-oxopyrrolidin-1-yl)propylamino]-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695104
3-(3-aminopropyl)-N,N-bis(3-methylbutyl)-2-[4-(methylcarbamoyl)anilino]benzimidazole-5-carboxamide
CID 10031115
2-(1-benzothiophen-2-ylmethylamino)-N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695393
2-(4-acetylanilino)-3-(3-imidazol-1-ylpropyl)-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 59695235
N,N-bis(3-methylbutyl)-3-(3-piperidin-1-ylpropyl)-2-(thiophen-3-ylmethylamino)benzimidazole-5-carboxamide
CID 25218322
3-(3-aminopropyl)-N,N-bis(3-methylbutyl)-2-[4-(methylcarbamoylamino)anilino]benzimidazole-5-carboxamide;dihydrochloride
CID 10031401
2-(4-acetylphenyl)-3-(3-aminopropyl)-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide
CID 58771124
2-[(3-methoxyphenyl)methylamino]-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 59695199
N,N-bis(3-methylbutyl)-2-(4-piperidin-1-ylanilino)-3-(3-pyrrolidin-1-ylpropyl)benzimidazole-5-carboxamide
CID 163839893
N-[(1-butylbenzimidazol-2-yl)methyl]-3,4-dimethyl-N-(3-methylbutyl)benzamide
CID 18733407
2-(1-benzothiophen-2-ylmethylamino)-3-ethyl-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide;1-propylpiperidine
CID 142936755

Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
The IUPAC name of 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide (CID 142936690) is 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
The canonical SMILES for 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide is CCCCn1c(NCCN(C)C=O)nc2ccc(C(=O)N(CCC(C)C)CCC(C)C)cc21.
What is the InChIKey of 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
The InChIKey is CELTZQWZTNAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N5O2/c1-7-8-14-31-24-18-22(25(33)30(15-11-20(2)3)16-12-21(4)5)9-10-23(24)28-26(31)27-13-17-29(6)19-32/h9-10,18-21H,7-8,11-17H2,1-6H3,(H,27,28).
What are the key properties of 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide?
3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide has a molecular weight of 457.66 g/mol, XLogP of 4.87, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-[2-[formyl(methyl)amino]ethylamino]-N,N-bis(3-methylbutyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 142936690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).