4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide

C15H20N4O — CID 60851207

IUPAC4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCC(N)CC3)cc2[nH]1
InChIInChI=1S/C15H20N4O/c1-9-17-13-7-6-12(8-14(13)18-9)19-15(20)10-2-4-11(16)5-3-10/h6-8,10-11H,2-5,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyYCQLJJIMLUUFMU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.33
Rot. Bonds2

About 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide

4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 60851207) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
PubChem CID60851207
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide
SMILESCc1nc2ccc(NC(=O)C3CCC(N)CC3)cc2[nH]1
InChIInChI=1S/C15H20N4O/c1-9-17-13-7-6-12(8-14(13)18-9)19-15(20)10-2-4-11(16)5-3-10/h6-8,10-11H,2-5,16H2,1H3,(H,17,18)(H,19,20)
InChIKeyYCQLJJIMLUUFMU-UHFFFAOYSA-N
XLogP2.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
N-(2-methoxy-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 166218130
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
4-hydroxy-N-[4-[6-[(4-hydroxycyclohexanecarbonyl)amino]-1H-benzimidazol-2-yl]phenyl]cyclohexane-1-carboxamide
CID 10140436
4-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)cyclohexane-1-carboxamide
CID 60850506
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
N-(2-methyl-3H-benzimidazol-5-yl)morpholine-3-carboxamide;dihydrochloride
CID 119838375
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
N-[2-[(4-methylpiperazin-1-yl)methyl]-3H-benzimidazol-5-yl]cyclopropanecarboxamide
CID 166197291

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide (CID 60851207) is 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide is Cc1nc2ccc(NC(=O)C3CCC(N)CC3)cc2[nH]1.
What is the InChIKey of 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide?
The InChIKey is YCQLJJIMLUUFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-9-17-13-7-6-12(8-14(13)18-9)19-15(20)10-2-4-11(16)5-3-10/h6-8,10-11H,2-5,16H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide?
4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-3H-benzimidazol-5-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60851207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).