2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide

C25H22ClN3O2 — CID 25192354

IUPAC2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCC1CC1)c1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1
InChIInChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29)
InChIKeyHLTZCMCWHWUHJJ-UHFFFAOYSA-N
MW431.92 g/mol
LogP6.21
Rot. Bonds7

About 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide

2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 25192354) has the molecular formula C25H22ClN3O2 and a molecular weight of 431.92 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide
PubChem CID25192354
Molecular FormulaC25H22ClN3O2
Molecular Weight431.92 g/mol
Exact Mass431.14
IUPAC Name2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCCC1CC1)c1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1
InChIInChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29)
InChIKeyHLTZCMCWHWUHJJ-UHFFFAOYSA-N
XLogP6.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.92
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Mchb-1
CID 44561533
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-(piperidin-4-ylmethoxy)phenyl)-1H-benzo[d]imidazole-5-carboxamide
CID 11501187
2-(4-{[1-(4-Chlorobenzyl)piperidin-4-Yl]methoxy}phenyl)-1h-Benzimidazole-5-Carboxamide
CID 11518511
2-{4-[(1-Benzylpiperidin-4-YL)methoxy]phenyl}-1H-benzimidazole-6-carboxamide
CID 11524997
N-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16371646
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666
2-[4-(4-Methoxy-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9924991
2-[4-(4-Carbamoyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 9947651
2-[4-(3,4-Dimethyl-phenoxy)-phenyl]-1H-benzoimidazole-5-carboxylic acid amide
CID 10108984

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide (CID 25192354) is 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide is O=C(NCCC1CC1)c1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is HLTZCMCWHWUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2/c26-20-3-1-2-4-23(20)31-19-10-7-17(8-11-19)24-28-21-12-9-18(15-22(21)29-24)25(30)27-14-13-16-5-6-16/h1-4,7-12,15-16H,5-6,13-14H2,(H,27,30)(H,28,29).
What are the key properties of 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide?
2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 431.92 g/mol, XLogP of 6.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenoxy)phenyl]-N-(2-cyclopropylethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25192354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).