N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide

C17H14ClN3O2 — CID 144524994

IUPACN-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CC1c1c(O)cccc1Cl
InChIInChI=1S/C17H14ClN3O2/c18-11-4-3-7-14(22)15(11)9-8-10(9)16(23)21-17-19-12-5-1-2-6-13(12)20-17/h1-7,9-10,22H,8H2,(H2,19,20,21,23)
InChIKeyKVTNRANBRZAGNY-UHFFFAOYSA-N
MW327.77 g/mol
LogP3.66
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide

N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide (PubChem CID 144524994) has the molecular formula C17H14ClN3O2 and a molecular weight of 327.77 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
PubChem CID144524994
Molecular FormulaC17H14ClN3O2
Molecular Weight327.77 g/mol
Exact Mass327.08
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CC1c1c(O)cccc1Cl
InChIInChI=1S/C17H14ClN3O2/c18-11-4-3-7-14(22)15(11)9-8-10(9)16(23)21-17-19-12-5-1-2-6-13(12)20-17/h1-7,9-10,22H,8H2,(H2,19,20,21,23)
InChIKeyKVTNRANBRZAGNY-UHFFFAOYSA-N
XLogP3.66
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.77
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 90336073
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 840089
cis-(1R,2S)-N-(1H-benzimidazol-2-yl)-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95049896
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 90336064
2,3-dichlorophenol;methyl N-(1H-benzimidazol-2-yl)carbamate
CID 175010873
N-(1H-benzimidazol-2-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 79140104
N-(1H-benzimidazol-2-yl)-4-hydroxycyclohexane-1-carboxamide
CID 112528043
N-(1H-benzimidazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 18089285
(2S)-N-(1H-benzimidazol-2-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261485
2-(4-chlorophenyl)-N-(1H-imidazo[4,5-b]pyridin-2-yl)cyclopropane-1-carboxamide
CID 71847605
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
N-(1H-benzimidazol-2-yl)-2-(2,4-dichlorophenyl)acetamide
CID 2678955

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide (CID 144524994) is N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1CC1c1c(O)cccc1Cl.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is KVTNRANBRZAGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2/c18-11-4-3-7-14(22)15(11)9-8-10(9)16(23)21-17-19-12-5-1-2-6-13(12)20-17/h1-7,9-10,22H,8H2,(H2,19,20,21,23).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 327.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(2-chloro-6-hydroxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 144524994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).