3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide

C21H17N3O2 — CID 4915123

IUPAC3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1
InChIInChI=1S/C21H17N3O2/c22-20(25)15-7-4-8-16(11-15)21-23-18-10-9-17(12-19(18)24-21)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,25)(H,23,24)
InChIKeyNBNOBZADAMNLOR-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.91
Rot. Bonds5

About 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide

3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide (PubChem CID 4915123) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound Name3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
PubChem CID4915123
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide
SMILESNC(=O)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1
InChIInChI=1S/C21H17N3O2/c22-20(25)15-7-4-8-16(11-15)21-23-18-10-9-17(12-19(18)24-21)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,25)(H,23,24)
InChIKeyNBNOBZADAMNLOR-UHFFFAOYSA-N
XLogP3.91
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethanol
CID 84816371
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-[(1-benzylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 11524997
3-(1H-indol-5-yloxymethyl)benzamide
CID 80641446
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110534777
5-[[3-(1H-benzimidazol-2-yl)phenoxy]methyl]furan-2-carboxylic acid
CID 168554863
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-[2-[(2-phenyl-3H-benzimidazol-5-yl)oxy]ethoxy]ethanamine
CID 84816368

Frequently Asked Questions

What is the IUPAC name of 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide (CID 4915123) is 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide is NC(=O)c1cccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1.
What is the InChIKey of 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide?
The InChIKey is NBNOBZADAMNLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c22-20(25)15-7-4-8-16(11-15)21-23-18-10-9-17(12-19(18)24-21)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,22,25)(H,23,24).
What are the key properties of 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide?
3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-phenylmethoxy-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 4915123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).