3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

C16H17N3O2S — CID 56790573

IUPAC3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C16H17N3O2S/c1-19-12-6-4-3-5-11(12)18-14(19)7-9-17-16(20)15-13(21-2)8-10-22-15/h3-6,8,10H,7,9H2,1-2H3,(H,17,20)
InChIKeyBBGBWOMHBVPCLK-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.62
Rot. Bonds5

About 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide

3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (PubChem CID 56790573) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
PubChem CID56790573
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)NCCc1nc2ccccc2n1C
InChIInChI=1S/C16H17N3O2S/c1-19-12-6-4-3-5-11(12)18-14(19)7-9-17-16(20)15-13(21-2)8-10-22-15/h3-6,8,10H,7,9H2,1-2H3,(H,17,20)
InChIKeyBBGBWOMHBVPCLK-UHFFFAOYSA-N
XLogP2.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1H-indole-2-carboxamide
CID 71827682
2-(ethylamino)-4-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 71852564
methyl 1,2-dimethyl-5-[2-(1-methylbenzimidazol-2-yl)ethylcarbamoyl]imidazole-4-carboxylate
CID 71279102
phenyl N-[2-(1-methylbenzimidazol-2-yl)ethyl]carbamate
CID 110711959
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
1-tert-butyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]urea
CID 110747230
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
N-[2-(1-methylbenzimidazol-2-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 53193500
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxamide
CID 91822683
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide (CID 56790573) is 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is COc1ccsc1C(=O)NCCc1nc2ccccc2n1C.
What is the InChIKey of 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
The InChIKey is BBGBWOMHBVPCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-19-12-6-4-3-5-11(12)18-14(19)7-9-17-16(20)15-13(21-2)8-10-22-15/h3-6,8,10H,7,9H2,1-2H3,(H,17,20).
What are the key properties of 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide?
3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(1-methylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 56790573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).