1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone

C15H19N3O — CID 96677034

IUPAC1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H19N3O/c1-3-16-9-14(19)11-6-7-13-12(8-11)17-15(18(13)2)10-4-5-10/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyNHUITRGFYJNQIW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.24
Rot. Bonds5

About 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone

1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone (PubChem CID 96677034) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone.

Molecular Properties

Compound Name1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
PubChem CID96677034
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
SMILESCCNCC(=O)c1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C15H19N3O/c1-3-16-9-14(19)11-6-7-13-12(8-11)17-15(18(13)2)10-4-5-10/h6-8,10,16H,3-5,9H2,1-2H3
InChIKeyNHUITRGFYJNQIW-UHFFFAOYSA-N
XLogP2.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
CID 82501905
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
CID 82497559
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 96679214
N-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]pentanamide
CID 110786135
(E)-3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)prop-2-enoic acid
CID 82497233
2-cyclopropyl-1-[2-(ethylamino)-2-oxoethyl]benzimidazole-5-carboxylic acid
CID 43566686
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
3-acetamido-N-(2-cyclopropyl-1-methylbenzimidazol-5-yl)benzamide
CID 110793284

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone?
The IUPAC name of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone (CID 96677034) is 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone.
What is the SMILES notation for 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone?
The canonical SMILES for 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone is CCNCC(=O)c1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone?
The InChIKey is NHUITRGFYJNQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-16-9-14(19)11-6-7-13-12(8-11)17-15(18(13)2)10-4-5-10/h6-8,10,16H,3-5,9H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone?
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone has a molecular weight of 257.34 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone is sourced from PubChem (CID 96677034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).