N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide

C23H27N3O — CID 20933774

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H27N3O/c27-23(16-17-7-2-1-3-8-17)24-19-10-6-9-18(15-19)13-14-22-25-20-11-4-5-12-21(20)26-22/h4-6,9-12,15,17H,1-3,7-8,13-14,16H2,(H,24,27)(H,25,26)
InChIKeyRXBUFSYZBVGYME-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.26
Rot. Bonds6

About N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide (PubChem CID 20933774) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
PubChem CID20933774
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C23H27N3O/c27-23(16-17-7-2-1-3-8-17)24-19-10-6-9-18(15-19)13-14-22-25-20-11-4-5-12-21(20)26-22/h4-6,9-12,15,17H,1-3,7-8,13-14,16H2,(H,24,27)(H,25,26)
InChIKeyRXBUFSYZBVGYME-UHFFFAOYSA-N
XLogP5.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 20933767
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
2-cyclohexyl-N-[2-[(3-hydroxyphenyl)methyl]-3H-benzimidazol-5-yl]acetamide
CID 163397660
2-cyclopentyl-N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]acetamide
CID 46290733
N-[3-(bromomethyl)phenyl]-2-cyclopentylacetamide
CID 114307300
2-cyclohexyl-N-(2-phenyl-3H-benzimidazol-5-yl)acetamide
CID 163397662
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
2-cyclohexyl-N-(3-phenylphenyl)acetamide
CID 53348155
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-chlorobenzenesulfonamide
CID 46379462
N-[3-(1H-benzimidazol-2-ylmethyl)phenyl]-2-(7-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetamide
CID 155956165

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide (CID 20933774) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)Nc1cccc(CCc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide?
The InChIKey is RXBUFSYZBVGYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c27-23(16-17-7-2-1-3-8-17)24-19-10-6-9-18(15-19)13-14-22-25-20-11-4-5-12-21(20)26-22/h4-6,9-12,15,17H,1-3,7-8,13-14,16H2,(H,24,27)(H,25,26).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide has a molecular weight of 361.49 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide is sourced from PubChem (CID 20933774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).