5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide

C21H22N4O3 — CID 71827682

IUPAC5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3nc4ccccc4n3C)[nH]c2cc1OC
InChIInChI=1S/C21H22N4O3/c1-25-17-7-5-4-6-14(17)24-20(25)8-9-22-21(26)16-10-13-11-18(27-2)19(28-3)12-15(13)23-16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,26)
InChIKeySYQZCOQVTOVFOM-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.04
Rot. Bonds6

About 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide

5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide (PubChem CID 71827682) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
PubChem CID71827682
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
SMILESCOc1cc2cc(C(=O)NCCc3nc4ccccc4n3C)[nH]c2cc1OC
InChIInChI=1S/C21H22N4O3/c1-25-17-7-5-4-6-14(17)24-20(25)8-9-22-21(26)16-10-13-11-18(27-2)19(28-3)12-15(13)23-16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,26)
InChIKeySYQZCOQVTOVFOM-UHFFFAOYSA-N
XLogP3.04
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 56790573
N-benzyl-5,6-dimethoxy-1H-indole-2-carboxamide;hydrochloride
CID 44664335
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
4-amino-5-chloro-2-methoxy-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide;dihydrochloride
CID 119889954
5,6-dimethoxy-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 7678004
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-oxo-2-phenyl-1H-pyrimidine-4-carboxamide
CID 135963099
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide (CID 71827682) is 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide is COc1cc2cc(C(=O)NCCc3nc4ccccc4n3C)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?
The InChIKey is SYQZCOQVTOVFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25-17-7-5-4-6-14(17)24-20(25)8-9-22-21(26)16-10-13-11-18(27-2)19(28-3)12-15(13)23-16/h4-7,10-12,23H,8-9H2,1-3H3,(H,22,26).
What are the key properties of 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide?
5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71827682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).