3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide

C21H23FN4O — CID 119859244

IUPAC3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1
InChIInChI=1S/C21H23FN4O/c22-17-7-2-1-4-13(17)11-20-25-18-9-8-16(12-19(18)26-20)24-21(27)14-5-3-6-15(23)10-14/h1-2,4,7-9,12,14-15H,3,5-6,10-11,23H2,(H,24,27)(H,25,26)
InChIKeyORWAKOULQHCUBG-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.75
Rot. Bonds4

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

3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide (PubChem CID 119859244) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
PubChem CID119859244
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1
InChIInChI=1S/C21H23FN4O/c22-17-7-2-1-4-13(17)11-20-25-18-9-8-16(12-19(18)26-20)24-21(27)14-5-3-6-15(23)10-14/h1-2,4,7-9,12,14-15H,3,5-6,10-11,23H2,(H,24,27)(H,25,26)
InChIKeyORWAKOULQHCUBG-UHFFFAOYSA-N
XLogP3.75
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 120503219
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120798737
2-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-2-methylpentanamide
CID 119859268
4-[(3-aminocyclohexanecarbonyl)amino]-N-[(2-fluorophenyl)methyl]benzamide;hydrochloride
CID 119718400
3-amino-N-naphthalen-2-ylcyclohexane-1-carboxamide
CID 63043411
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119811117
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119835113
3-amino-N-(3,4,5-trifluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119707997
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]-4-(propan-2-ylsulfamoyl)benzamide
CID 52661392
cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide (CID 119859244) is 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)C1.
What is the InChIKey of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
The InChIKey is ORWAKOULQHCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-17-7-2-1-4-13(17)11-20-25-18-9-8-16(12-19(18)26-20)24-21(27)14-5-3-6-15(23)10-14/h1-2,4,7-9,12,14-15H,3,5-6,10-11,23H2,(H,24,27)(H,25,26).
What are the key properties of 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide?
3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119859244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).