2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide

C27H36N4O2 — CID 44561045

IUPAC2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCNCC2)cc1
InChIInChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)22-9-12-25-24(18-22)29-26(31(25)19-21-13-15-28-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-12,18,21,28H,4-6,13-17,19H2,1-3H3
InChIKeyMNEIHVZSHOPLCE-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.51
Rot. Bonds9

About 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide

2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 44561045) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide
PubChem CID44561045
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCNCC2)cc1
InChIInChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)22-9-12-25-24(18-22)29-26(31(25)19-21-13-15-28-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-12,18,21,28H,4-6,13-17,19H2,1-3H3
InChIKeyMNEIHVZSHOPLCE-UHFFFAOYSA-N
XLogP4.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)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

Mchb-1
CID 44561533
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
methyl 4-(6-(diisopentylcarbamoyl)-1-(3-(piperidin-1-yl)propyl)-1H-benzo[d]imidazol-2-ylamino)benzoate
CID 44432941
N,N-diisopentyl-2-(4-methoxybenzoyl)-3-(3-(piperidin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432966
4-(2-(4-(1H-benzo[d]imidazole-2-carbonyl)phenoxy)pyridin-3-yl)-1-methylpyrrolidin-2-one
CID 59326873
N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 16279719
[1-(4-Methoxyphenyl)benzimidazol-5-yl]-piperidin-1-ylmethanone
CID 3474778
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide (CID 44561045) is 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CCNCC2)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is MNEIHVZSHOPLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)22-9-12-25-24(18-22)29-26(31(25)19-21-13-15-28-16-14-21)17-20-7-10-23(11-8-20)33-6-3/h7-12,18,21,28H,4-6,13-17,19H2,1-3H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide?
2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 448.61 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-(piperidin-4-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 44561045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).