N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide

C23H26N4O2 — CID 46963711

IUPACN-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(C(=O)N(C)C4CCCCC4)c3)cc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-15-24-20-12-11-16(14-21(20)25-15)22(28)26-18-8-6-7-17(13-18)23(29)27(2)19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyHABKAKMFTHLQTI-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.53
Rot. Bonds4

About N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide

N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 46963711) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID46963711
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2ccc(C(=O)Nc3cccc(C(=O)N(C)C4CCCCC4)c3)cc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-15-24-20-12-11-16(14-21(20)25-15)22(28)26-18-8-6-7-17(13-18)23(29)27(2)19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyHABKAKMFTHLQTI-UHFFFAOYSA-N
XLogP4.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-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

N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methylsulfanylpyrimidine-5-carboxamide
CID 16676164
3-(carbamoylamino)-N-cyclopentyl-N-methylbenzamide
CID 47128702
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
N-cyclobutyl-N-methyl-3-(methylamino)benzamide
CID 115160881
3-[(3-bromobenzoyl)amino]-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 112834244
N-cyclohexyl-3-(methanesulfonamido)-N-methylbenzamide
CID 51274732
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
3-bromo-N-cyclohexyl-N-methylbenzamide
CID 19166286
N,2-dimethyl-3H-benzimidazole-5-carbohydrazide
CID 116845661
3-(benzenesulfonamido)-N-cyclohexyl-N-methylbenzamide
CID 27670732
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208

Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide (CID 46963711) is N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide is Cc1nc2ccc(C(=O)Nc3cccc(C(=O)N(C)C4CCCCC4)c3)cc2[nH]1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is HABKAKMFTHLQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-24-20-12-11-16(14-21(20)25-15)22(28)26-18-8-6-7-17(13-18)23(29)27(2)19-9-4-3-5-10-19/h6-8,11-14,19H,3-5,9-10H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide?
N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46963711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).