N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide

C19H21N3O3 — CID 30209564

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1C
InChIInChI=1S/C19H21N3O3/c1-12-16(24-2)10-13(11-17(12)25-3)19(23)20-9-8-18-21-14-6-4-5-7-15(14)22-18/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYMFFRKDPRNCSMI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.86
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide (PubChem CID 30209564) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
PubChem CID30209564
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1C
InChIInChI=1S/C19H21N3O3/c1-12-16(24-2)10-13(11-17(12)25-3)19(23)20-9-8-18-21-14-6-4-5-7-15(14)22-18/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyYMFFRKDPRNCSMI-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-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-propoxybenzamide
CID 21008909
3-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-propoxybenzamide
CID 110499895
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-chloropyridine-4-carboxamide
CID 103607169
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
CID 2066664
methyl 6-[2-(1H-benzimidazol-2-yl)ethylcarbamoyl]pyridine-3-carboxylate
CID 32657840
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 47293402

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide (CID 30209564) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)NCCc2nc3ccccc3[nH]2)cc(OC)c1C.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is YMFFRKDPRNCSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-16(24-2)10-13(11-17(12)25-3)19(23)20-9-8-18-21-14-6-4-5-7-15(14)22-18/h4-7,10-11H,8-9H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide 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-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 30209564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).