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

C19H21N3O4 — CID 146025489

IUPACN-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc3nc[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-24-16-8-12(9-17(25-2)18(16)26-3)6-7-20-19(23)13-4-5-14-15(10-13)22-11-21-14/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKPVVTJNEJNHEDR-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.56
Rot. Bonds7

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

N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 146025489) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID146025489
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(CCNC(=O)c2ccc3nc[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C19H21N3O4/c1-24-16-8-12(9-17(25-2)18(16)26-3)6-7-20-19(23)13-4-5-14-15(10-13)22-11-21-14/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyKPVVTJNEJNHEDR-UHFFFAOYSA-N
XLogP2.56
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-[2-(4-propan-2-yloxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 38503100
N-[2-(3-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 162475307
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-[2-[4-[2-(dimethylamino)ethoxy]phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 155946321
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 17424349
N-[3-[(1R)-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]propyl]-3H-benzimidazole-5-carboxamide
CID 129168538
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 146025489) is N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is COc1cc(CCNC(=O)c2ccc3nc[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KPVVTJNEJNHEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-24-16-8-12(9-17(25-2)18(16)26-3)6-7-20-19(23)13-4-5-14-15(10-13)22-11-21-14/h4-5,8-11H,6-7H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 146025489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).