N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide

C12H14ClN3O — CID 166226192

IUPACN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H14ClN3O/c1-3-12(17)14-7-11-15-9-6-8(13)4-5-10(9)16(11)2/h4-6H,3,7H2,1-2H3,(H,14,17)
InChIKeyCUYZLFJGDZSEAQ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.25
Rot. Bonds3

About N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide

N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide (PubChem CID 166226192) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
PubChem CID166226192
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide
SMILESCCC(=O)NCc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C12H14ClN3O/c1-3-12(17)14-7-11-15-9-6-8(13)4-5-10(9)16(11)2/h4-6H,3,7H2,1-2H3,(H,14,17)
InChIKeyCUYZLFJGDZSEAQ-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-chloro-1-methylbenzimidazol-2-yl)methylamino]methyl]-2-ethylbutanoic acid
CID 122128861
1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]-3-[[2-(ethylamino)-4-pyridinyl]methyl]urea
CID 167853564
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]prop-2-enamide
CID 166408298
3-(5-chloro-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84640275
(2S)-N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-2-(dimethylamino)-3-methylbutanamide
CID 86779822
2-(5-chloro-1-methylbenzimidazol-2-yl)-N-ethylethanamine
CID 62327428
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 1293138
3-(5-chloro-1-methylbenzimidazol-2-yl)-1,1,1-trifluoropropan-2-ol
CID 79872192
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide?
The IUPAC name of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide (CID 166226192) is N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide?
The canonical SMILES for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide is CCC(=O)NCc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide?
The InChIKey is CUYZLFJGDZSEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-12(17)14-7-11-15-9-6-8(13)4-5-10(9)16(11)2/h4-6H,3,7H2,1-2H3,(H,14,17).
What are the key properties of N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide?
N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide has a molecular weight of 251.72 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 166226192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).