N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide

C18H19N3O2 — CID 110692591

IUPACN-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C18H19N3O2/c1-21-12-20-16-11-14(5-8-17(16)21)18(22)19-10-9-13-3-6-15(23-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyZZDYWXBHTFVNAW-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 110692591) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID110692591
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc3c(c2)ncn3C)cc1
InChIInChI=1S/C18H19N3O2/c1-21-12-20-16-11-14(5-8-17(16)21)18(22)19-10-9-13-3-6-15(23-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyZZDYWXBHTFVNAW-UHFFFAOYSA-N
XLogP2.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methylbenzimidazole-5-carboxamide
CID 110692599
3-methyl-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110791606
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
3-methoxy-N-[(1-methylbenzimidazol-5-yl)methyl]benzamide
CID 110785783
3-acetamido-N-[2-(1-methylbenzimidazol-5-yl)ethyl]benzamide
CID 110796161
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-[2-(4-methoxyphenyl)ethyl]naphthalene-2-carboxamide
CID 1343397
N-[3-(dimethylamino)propyl]-1-methylbenzimidazole-5-carboxamide
CID 110692569
(1-methylbenzimidazol-5-yl) 2-(4-methoxyphenyl)acetate
CID 90538160
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
N-(2-phenylethyl)-1-(3,4,5-trimethoxyphenyl)benzimidazole-5-carboxamide
CID 5235716

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide (CID 110692591) is N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide is COc1ccc(CCNC(=O)c2ccc3c(c2)ncn3C)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is ZZDYWXBHTFVNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21-12-20-16-11-14(5-8-17(16)21)18(22)19-10-9-13-3-6-15(23-2)7-4-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110692591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).