N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide

C16H20ClN3O2 — CID 77094237

IUPACN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCCc1nc2ccc(Cl)cc2[nH]1)C1CCC(O)CC1
InChIInChI=1S/C16H20ClN3O2/c17-11-3-6-13-14(9-11)20-15(19-13)7-8-18-16(22)10-1-4-12(21)5-2-10/h3,6,9-10,12,21H,1-2,4-5,7-8H2,(H,18,22)(H,19,20)
InChIKeyYQGHILCRGMRRHB-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide

N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide (PubChem CID 77094237) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
PubChem CID77094237
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
SMILESO=C(NCCc1nc2ccc(Cl)cc2[nH]1)C1CCC(O)CC1
InChIInChI=1S/C16H20ClN3O2/c17-11-3-6-13-14(9-11)20-15(19-13)7-8-18-16(22)10-1-4-12(21)5-2-10/h3,6,9-10,12,21H,1-2,4-5,7-8H2,(H,18,22)(H,19,20)
InChIKeyYQGHILCRGMRRHB-UHFFFAOYSA-N
XLogP2.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 70768987
[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
CID 155256233
cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244
(3S)-1-tert-butyl-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97125067
N-[3-(6-chloro-1H-benzimidazol-2-yl)propyl]azetidine-2-carboxamide;dihydrochloride
CID 154909809
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-2-[(3R)-pyrrolidin-3-yl]acetamide
CID 125177273
(3R)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97191799
2-(carbamoylamino)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 77089678
(3S,4S)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carboxamide
CID 119071006
N-[2-(4-chlorophenyl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 112529064
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 147061813

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide (CID 77094237) is N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide is O=C(NCCc1nc2ccc(Cl)cc2[nH]1)C1CCC(O)CC1.
What is the InChIKey of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
The InChIKey is YQGHILCRGMRRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c17-11-3-6-13-14(9-11)20-15(19-13)7-8-18-16(22)10-1-4-12(21)5-2-10/h3,6,9-10,12,21H,1-2,4-5,7-8H2,(H,18,22)(H,19,20).
What are the key properties of N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide?
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide is sourced from PubChem (CID 77094237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).