2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide

C12H16N4O — CID 83949197

IUPAC2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCCNCc1nc2ccc(C(=O)NC)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-3-14-7-11-15-9-5-4-8(12(17)13-2)6-10(9)16-11/h4-6,14H,3,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySJDSDLYMAUXPIQ-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.03
Rot. Bonds4

About 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide

2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 83949197) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
PubChem CID83949197
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide
SMILESCCNCc1nc2ccc(C(=O)NC)cc2[nH]1
InChIInChI=1S/C12H16N4O/c1-3-14-7-11-15-9-5-4-8(12(17)13-2)6-10(9)16-11/h4-6,14H,3,7H2,1-2H3,(H,13,17)(H,15,16)
InChIKeySJDSDLYMAUXPIQ-UHFFFAOYSA-N
XLogP1.03
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-methylsulfanyl-3H-benzimidazole-5-carboxamide
CID 11356474
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
N-[(6-methyl-1H-benzimidazol-2-yl)methyl]benzamide
CID 924710
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
2-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 110765610
N-(2-carbamoylphenyl)-2-ethyl-3H-benzimidazole-5-carboxamide
CID 110765583
methyl 2-benzyl-3H-benzimidazole-5-carboxylate
CID 4915686

Frequently Asked Questions

What is the IUPAC name of 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide (CID 83949197) is 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide is CCNCc1nc2ccc(C(=O)NC)cc2[nH]1.
What is the InChIKey of 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is SJDSDLYMAUXPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-14-7-11-15-9-5-4-8(12(17)13-2)6-10(9)16-11/h4-6,14H,3,7H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide?
2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylaminomethyl)-N-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 83949197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).