N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide

C19H21N3O3 — CID 110795807

IUPACN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)c2ccc3nc[nH]c3c2)cc1OC
InChIInChI=1S/C19H21N3O3/c1-12-8-17(24-2)18(25-3)10-13(12)6-7-20-19(23)14-4-5-15-16(9-14)22-11-21-15/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKMWUDNFTPVGKGI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide

N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110795807) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID110795807
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C)c(CCNC(=O)c2ccc3nc[nH]c3c2)cc1OC
InChIInChI=1S/C19H21N3O3/c1-12-8-17(24-2)18(25-3)10-13(12)6-7-20-19(23)14-4-5-15-16(9-14)22-11-21-15/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKMWUDNFTPVGKGI-UHFFFAOYSA-N
XLogP2.86
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[2-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110662819
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541140
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 110795807) is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide is COc1cc(C)c(CCNC(=O)c2ccc3nc[nH]c3c2)cc1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KMWUDNFTPVGKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-8-17(24-2)18(25-3)10-13(12)6-7-20-19(23)14-4-5-15-16(9-14)22-11-21-15/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110795807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).