N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

C17H22N4O2 — CID 17029056

IUPACN-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NC1CC1
InChIInChI=1S/C17H22N4O2/c1-11(2)17(23)18-9-15-20-13-5-3-4-6-14(13)21(15)10-16(22)19-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyRUTNOYNWKOLNLF-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.59
Rot. Bonds6

About N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide

N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 17029056) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
PubChem CID17029056
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NC1CC1
InChIInChI=1S/C17H22N4O2/c1-11(2)17(23)18-9-15-20-13-5-3-4-6-14(13)21(15)10-16(22)19-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyRUTNOYNWKOLNLF-UHFFFAOYSA-N
XLogP1.59
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-[[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029059
2-(2-ethylbenzimidazol-1-yl)-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 51219854
4-chloro-N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029542
N-[[1-[2-(cyclopentylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029444
N-[[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide
CID 17029087
2-[2-(1-acetamidoethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 17029875
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
2-methyl-N-[(1-prop-2-enylbenzimidazol-2-yl)methyl]propanamide
CID 17006187
N-cyclooctyl-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 34366434

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide (CID 17029056) is N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is CC(C)C(=O)NCc1nc2ccccc2n1CC(=O)NC1CC1.
What is the InChIKey of N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is RUTNOYNWKOLNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-11(2)17(23)18-9-15-20-13-5-3-4-6-14(13)21(15)10-16(22)19-12-7-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide?
N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 314.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(cyclopropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 17029056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).