N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide

C23H27N3O2 — CID 125159840

IUPACN-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide
SMILESC[C@@H](O)c1nc2ccc(-c3cccc(C(=O)NC4CCCCCC4)c3)cc2[nH]1
InChIInChI=1S/C23H27N3O2/c1-15(27)22-25-20-12-11-17(14-21(20)26-22)16-7-6-8-18(13-16)23(28)24-19-9-4-2-3-5-10-19/h6-8,11-15,19,27H,2-5,9-10H2,1H3,(H,24,28)(H,25,26)/t15-/m1/s1
InChIKeySKOQZWIDHXQMIM-OAHLLOKOSA-N
MW377.49 g/mol
LogP4.74
Rot. Bonds4

About N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide

N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide (PubChem CID 125159840) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide
PubChem CID125159840
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide
SMILESC[C@@H](O)c1nc2ccc(-c3cccc(C(=O)NC4CCCCCC4)c3)cc2[nH]1
InChIInChI=1S/C23H27N3O2/c1-15(27)22-25-20-12-11-17(14-21(20)26-22)16-7-6-8-18(13-16)23(28)24-19-9-4-2-3-5-10-19/h6-8,11-15,19,27H,2-5,9-10H2,1H3,(H,24,28)(H,25,26)/t15-/m1/s1
InChIKeySKOQZWIDHXQMIM-OAHLLOKOSA-N
XLogP4.74
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 110765621
2-(4-aminophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 11359566
N-cyclohexyl-2-(4-nitrophenyl)-3H-benzimidazole-5-carboxamide
CID 11451364
2-[(1R)-1-hydroxyethyl]-3H-benzimidazole-5-carboxylic acid
CID 832002
2-[4-(cyclohexylcarbamoyl)phenyl]-N-(2-methylcyclohexyl)-3H-benzimidazole-5-carboxamide
CID 20739970
N-cyclooctyl-2-[4-[[4-(methoxyamino)benzoyl]amino]phenyl]-3H-benzimidazole-5-carboxamide
CID 142169238
N-(2-acetamidoethyl)-4-[2-[(1S)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide
CID 125445964
1-N-cyclohexyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050479
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
N-(2-adamantyl)-2-[4-(cycloheptylcarbamoyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740045
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide (CID 125159840) is N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide is C[C@@H](O)c1nc2ccc(-c3cccc(C(=O)NC4CCCCCC4)c3)cc2[nH]1.
What is the InChIKey of N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide?
The InChIKey is SKOQZWIDHXQMIM-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-15(27)22-25-20-12-11-17(14-21(20)26-22)16-7-6-8-18(13-16)23(28)24-19-9-4-2-3-5-10-19/h6-8,11-15,19,27H,2-5,9-10H2,1H3,(H,24,28)(H,25,26)/t15-/m1/s1.
What are the key properties of N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide?
N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 4.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-[2-[(1R)-1-hydroxyethyl]-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 125159840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).