3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide

C19H21N5O — CID 155944024

IUPAC3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide
SMILESCc1cnc(C2(NC(=O)c3ccc4ncn(C5CC5)c4c3)CCC2)[nH]1
InChIInChI=1S/C19H21N5O/c1-12-10-20-18(22-12)19(7-2-8-19)23-17(25)13-3-6-15-16(9-13)24(11-21-15)14-4-5-14/h3,6,9-11,14H,2,4-5,7-8H2,1H3,(H,20,22)(H,23,25)
InChIKeySHYKIISBFYSZOJ-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.21
Rot. Bonds4

About 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide

3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide (PubChem CID 155944024) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide
PubChem CID155944024
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide
SMILESCc1cnc(C2(NC(=O)c3ccc4ncn(C5CC5)c4c3)CCC2)[nH]1
InChIInChI=1S/C19H21N5O/c1-12-10-20-18(22-12)19(7-2-8-19)23-17(25)13-3-6-15-16(9-13)24(11-21-15)14-4-5-14/h3,6,9-11,14H,2,4-5,7-8H2,1H3,(H,20,22)(H,23,25)
InChIKeySHYKIISBFYSZOJ-UHFFFAOYSA-N
XLogP3.21
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]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

1-(3-cyclopropylbenzimidazol-5-yl)ethanone
CID 83880677
ethane;N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]acetamide
CID 157037655
tert-butyl 3-cyclobutylbenzimidazole-5-carboxylate
CID 170646085
3-(3,3-dimethylcyclohexyl)benzimidazole-5-carboxylic acid
CID 82791330
3-(1-cyclopentylpiperidin-4-yl)benzimidazole-5-carboxylic acid
CID 68611173
N-[4-(5-methyl-1H-imidazol-2-yl)oxan-4-yl]indolizine-2-carboxamide
CID 167875518
2-(1-benzamidocyclobutyl)-1H-imidazole-5-carboxylic acid
CID 60828087
3-(3-methoxycyclopentyl)benzimidazole-5-carboxylic acid
CID 114118188
1-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]-3-[3-(phenylsulfamoyl)phenyl]urea
CID 166358541
4-(6-fluorobenzimidazol-1-yl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 141326357
3-(1-methyl-6-oxopiperidin-3-yl)benzimidazole-5-carboxylic acid
CID 82790720
cyclopropyl-(1-cyclopropylbenzimidazol-5-yl)methanone
CID 82494686

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide (CID 155944024) is 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide is Cc1cnc(C2(NC(=O)c3ccc4ncn(C5CC5)c4c3)CCC2)[nH]1.
What is the InChIKey of 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide?
The InChIKey is SHYKIISBFYSZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-12-10-20-18(22-12)19(7-2-8-19)23-17(25)13-3-6-15-16(9-13)24(11-21-15)14-4-5-14/h3,6,9-11,14H,2,4-5,7-8H2,1H3,(H,20,22)(H,23,25).
What are the key properties of 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide?
3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[1-(5-methyl-1H-imidazol-2-yl)cyclobutyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 155944024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).