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

C20H14ClN3O2 — CID 10292206

IUPAC2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4cccc(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O2/c21-14-2-1-3-16(11-14)26-15-7-4-12(5-8-15)20-23-17-9-6-13(19(22)25)10-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKeyORMYSOQVDNNQEX-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.77
Rot. Bonds4

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

2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10292206) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10292206
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4cccc(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O2/c21-14-2-1-3-16(11-14)26-15-7-4-12(5-8-15)20-23-17-9-6-13(19(22)25)10-18(17)24-20/h1-11H,(H2,22,25)(H,23,24)
InChIKeyORMYSOQVDNNQEX-UHFFFAOYSA-N
XLogP4.77
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
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-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
2-[4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole-4-carboxamide
CID 11257801
2-(4-(3-Hydroxyphenoxy)phenyl)-1h-Benzo[d]imidazole-5-Carboxamide
CID 11371378
2-(4-(4-Carbamimidoylphenoxy)phenyl)-1H-benzo[D]imidazole-6-carboximidamide
CID 456167
N-(1H-benzimidazol-2-yl)-4-propan-2-yloxybenzamide
CID 2583506
N-[2-(4-methoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 16371646
N-[5-(1H-1,3-Benzodiazol-2-YL)-2-methylphenyl]-3-propoxybenzamide
CID 15991043

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide (CID 10292206) is 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4cccc(Cl)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ORMYSOQVDNNQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-14-2-1-3-16(11-14)26-15-7-4-12(5-8-15)20-23-17-9-6-13(19(22)25)10-18(17)24-20/h1-11H,(H2,22,25)(H,23,24).
What are the key properties of 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenoxy)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10292206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).