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

C22H25N3O — CID 20933767

IUPACN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)C1CCCCC1
InChIInChI=1S/C22H25N3O/c26-22(17-8-2-1-3-9-17)23-18-10-6-7-16(15-18)13-14-21-24-19-11-4-5-12-20(19)25-21/h4-7,10-12,15,17H,1-3,8-9,13-14H2,(H,23,26)(H,24,25)
InChIKeyAGMXPALQQYKLQQ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.87
Rot. Bonds5

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

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 20933767) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
PubChem CID20933767
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)C1CCCCC1
InChIInChI=1S/C22H25N3O/c26-22(17-8-2-1-3-9-17)23-18-10-6-7-16(15-18)13-14-21-24-19-11-4-5-12-20(19)25-21/h4-7,10-12,15,17H,1-3,8-9,13-14H2,(H,23,26)(H,24,25)
InChIKeyAGMXPALQQYKLQQ-UHFFFAOYSA-N
XLogP4.87
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-cyclohexylacetamide
CID 20933774
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933779
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-fluoro-4-methylbenzamide
CID 46328395
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
1-[2-(1H-benzimidazol-2-yl)ethyl]-1-cyclopentyl-3-(3-fluorophenyl)urea
CID 1454662
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-4-ethylbenzenesulfonamide
CID 50822907
N-[3-(3-phenylpropanoylamino)phenyl]cyclohexanecarboxamide
CID 17222847
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide (CID 20933767) is N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(CCc2nc3ccccc3[nH]2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is AGMXPALQQYKLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c26-22(17-8-2-1-3-9-17)23-18-10-6-7-16(15-18)13-14-21-24-19-11-4-5-12-20(19)25-21/h4-7,10-12,15,17H,1-3,8-9,13-14H2,(H,23,26)(H,24,25).
What are the key properties of N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
N-[3-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.87, 5 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]cyclohexanecarboxamide is sourced from PubChem (CID 20933767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).