1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide

C24H23N5O — CID 156818205

IUPAC1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NCc2nc3ccc(-c4cccc(C#N)c4)cc3[nH]2)c1
InChIInChI=1S/C24H23N5O/c1-24(2,3)29-10-9-19(15-29)23(30)26-14-22-27-20-8-7-18(12-21(20)28-22)17-6-4-5-16(11-17)13-25/h4-12,15H,14H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyWIOZCSNXCKFDBG-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.59
Rot. Bonds4

About 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide

1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide (PubChem CID 156818205) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide
PubChem CID156818205
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide
SMILESCC(C)(C)n1ccc(C(=O)NCc2nc3ccc(-c4cccc(C#N)c4)cc3[nH]2)c1
InChIInChI=1S/C24H23N5O/c1-24(2,3)29-10-9-19(15-29)23(30)26-14-22-27-20-8-7-18(12-21(20)28-22)17-6-4-5-16(11-17)13-25/h4-12,15H,14H2,1-3H3,(H,26,30)(H,27,28)
InChIKeyWIOZCSNXCKFDBG-UHFFFAOYSA-N
XLogP4.59
TPSA86.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-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

Alosetron
CID 2099
Ramosetron
CID 108000
Alosetron Hydrochloride
CID 60758
Ramosetron Hydrochloride
CID 107999
2-(ethylureido)-N-methyl-5-(pyridine-3-yl)-1H-benzo[d]imidazole-7-carboxamide
CID 10427243
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-diethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581392
(1-methyl-1H-indol-3-yl)(4,5,6,7-tetrahydro-1H-benzo[d]imidazol-6-yl)methanone
CID 4442
(E)-2-cyano-3-[4-[[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]amino]phenyl]-N,N-dimethylprop-2-enamide
CID 71014325
5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 3110698
2-(4-(pyridin-2-yl)phenyl)-1H-benzo(d)imidazole-4-carboxamide
CID 44542366
2-(4-pyridine-3-ylphenyl)-1H-benzimidazole-4-carboxamide
CID 44541920

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide (CID 156818205) is 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide is CC(C)(C)n1ccc(C(=O)NCc2nc3ccc(-c4cccc(C#N)c4)cc3[nH]2)c1.
What is the InChIKey of 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide?
The InChIKey is WIOZCSNXCKFDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-24(2,3)29-10-9-19(15-29)23(30)26-14-22-27-20-8-7-18(12-21(20)28-22)17-6-4-5-16(11-17)13-25/h4-12,15H,14H2,1-3H3,(H,26,30)(H,27,28).
What are the key properties of 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide?
1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[6-(3-cyanophenyl)-1H-benzimidazol-2-yl]methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 156818205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).