[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid

C16H19ClN4O3 — CID 155256233

IUPAC[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H19ClN4O3/c17-10-3-6-12-13(7-10)21-14(20-12)8-18-15(22)9-1-4-11(5-2-9)19-16(23)24/h3,6-7,9,11,19H,1-2,4-5,8H2,(H,18,22)(H,20,21)(H,23,24)
InChIKeyJYZGIJKTIZUCHW-UHFFFAOYSA-N
MW350.81 g/mol
LogP2.66
Rot. Bonds4

About [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid

[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid (PubChem CID 155256233) has the molecular formula C16H19ClN4O3 and a molecular weight of 350.81 g/mol. Its IUPAC name is [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
PubChem CID155256233
Molecular FormulaC16H19ClN4O3
Molecular Weight350.81 g/mol
Exact Mass350.11
IUPAC Name[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C16H19ClN4O3/c17-10-3-6-12-13(7-10)21-14(20-12)8-18-15(22)9-1-4-11(5-2-9)19-16(23)24/h3,6-7,9,11,19H,1-2,4-5,8H2,(H,18,22)(H,20,21)(H,23,24)
InChIKeyJYZGIJKTIZUCHW-UHFFFAOYSA-N
XLogP2.66
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 118769244
N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 77094237
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]oxane-2-carboxamide
CID 118795559
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
CID 147061813
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119885363
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56882007
1-(2-amino-2-oxoethyl)-N-[2-(6-chloro-1H-benzimidazol-2-yl)ethyl]piperidine-4-carboxamide
CID 70768987
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119885405
N-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)cyclohexyl]-5-oxopyrrolidine-2-carboxamide;formic acid
CID 171339483
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]acetamide
CID 118778380

Frequently Asked Questions

What is the IUPAC name of [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid (CID 155256233) is [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid is O=C(O)NC1CCC(C(=O)NCc2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid?
The InChIKey is JYZGIJKTIZUCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O3/c17-10-3-6-12-13(7-10)21-14(20-12)8-18-15(22)9-1-4-11(5-2-9)19-16(23)24/h3,6-7,9,11,19H,1-2,4-5,8H2,(H,18,22)(H,20,21)(H,23,24).
What are the key properties of [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid?
[4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid has a molecular weight of 350.81 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-chloro-1H-benzimidazol-2-yl)methylcarbamoyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 155256233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).