N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide

C20H23N3O2 — CID 156811262

IUPACN-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCN(CC)C(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
InChIInChI=1S/C20H23N3O2/c1-4-12-22(5-2)20(24)15-10-11-17-16(13-15)21-14-23(17)18-8-6-7-9-19(18)25-3/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeySDACTCABAWAPTA-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.91
Rot. Bonds6

About N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide

N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide (PubChem CID 156811262) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
PubChem CID156811262
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
SMILESCCCN(CC)C(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
InChIInChI=1S/C20H23N3O2/c1-4-12-22(5-2)20(24)15-10-11-17-16(13-15)21-14-23(17)18-8-6-7-9-19(18)25-3/h6-11,13-14H,4-5,12H2,1-3H3
InChIKeySDACTCABAWAPTA-UHFFFAOYSA-N
XLogP3.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methoxyphenyl)benzimidazol-5-yl]butanamide
CID 2974525
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
3-bromo-N-ethyl-4-methoxy-N-propylbenzamide
CID 60738275
1-(2-propylphenyl)benzimidazole-5-carboxylic acid
CID 63549717
N-[(2-chlorophenyl)methyl]-1-(2-ethoxyphenyl)benzimidazole-5-carboxamide
CID 4278606
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
CID 3519711
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009
4-amino-3-methoxy-N,N-dipropylbenzamide
CID 104782274
N-benzyl-N-ethyl-1-methylbenzimidazole-5-carboxamide
CID 110692583
N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716
1-(2-methoxyphenyl)-N-pyridin-2-ylbenzimidazol-5-amine
CID 59373052

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
The IUPAC name of N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide (CID 156811262) is N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide is CCCN(CC)C(=O)c1ccc2c(c1)ncn2-c1ccccc1OC.
What is the InChIKey of N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
The InChIKey is SDACTCABAWAPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-4-12-22(5-2)20(24)15-10-11-17-16(13-15)21-14-23(17)18-8-6-7-9-19(18)25-3/h6-11,13-14H,4-5,12H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide?
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide is sourced from PubChem (CID 156811262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).