(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone

C21H23N3O2 — CID 70515128

IUPAC(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3nc(N)n(C4CCCCC4)c3c2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-17-10-7-14(8-11-17)20(25)15-9-12-18-19(13-15)24(21(22)23-18)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H2,22,23)
InChIKeyWDFQXXPBMRCYAB-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.36
Rot. Bonds4

About (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone

(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone (PubChem CID 70515128) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
PubChem CID70515128
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc3nc(N)n(C4CCCCC4)c3c2)cc1
InChIInChI=1S/C21H23N3O2/c1-26-17-10-7-14(8-11-17)20(25)15-9-12-18-19(13-15)24(21(22)23-18)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H2,22,23)
InChIKeyWDFQXXPBMRCYAB-UHFFFAOYSA-N
XLogP4.36
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 84785186
1-cyclohexyl-6-[4-(dimethoxymethyl)piperidin-1-yl]benzimidazol-2-amine
CID 178129415
3-cyclopentyl-2-propan-2-ylbenzimidazole-5-carboxylic acid
CID 80502987
1-cyclohexylbenzimidazole-2,5-diamine
CID 84793894
tert-butyl (3R)-4-(2-amino-3-cyclopentylbenzimidazol-5-yl)-3-methylpiperazine-1-carboxylate
CID 176629182
2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 6952092
1-cyclopentyl-6-[(Z)-1-(2-fluorophenyl)-3-nitrosoprop-1-enyl]benzimidazol-2-amine
CID 142073924
2-[2-[2-(4-aminophenyl)-5-methoxyphenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
CID 89200947
3-cyclohexyl-8-methoxy-[1,3,5]triazino[2,1-b][1,3]benzothiazole-2,4-dione
CID 3389789
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
1-cyclohexyl-6-hydroxy-5-(4-methoxybenzoyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 19116274
1-(3-cyclopropyl-2-methylbenzimidazol-5-yl)ethanone
CID 83886321

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone (CID 70515128) is (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc3nc(N)n(C4CCCCC4)c3c2)cc1.
What is the InChIKey of (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone?
The InChIKey is WDFQXXPBMRCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-26-17-10-7-14(8-11-17)20(25)15-9-12-18-19(13-15)24(21(22)23-18)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H2,22,23).
What are the key properties of (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone?
(2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone has a molecular weight of 349.43 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-cyclohexylbenzimidazol-5-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 70515128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).