2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone

C16H21N3O — CID 96679214

IUPAC2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCC(C)c1nc2cc(C(=O)CNC3CC3)ccc2n1C
InChIInChI=1S/C16H21N3O/c1-10(2)16-18-13-8-11(4-7-14(13)19(16)3)15(20)9-17-12-5-6-12/h4,7-8,10,12,17H,5-6,9H2,1-3H3
InChIKeyQQUJAONPCWZGNP-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.63
Rot. Bonds5

About 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone

2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone (PubChem CID 96679214) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
PubChem CID96679214
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
SMILESCC(C)c1nc2cc(C(=O)CNC3CC3)ccc2n1C
InChIInChI=1S/C16H21N3O/c1-10(2)16-18-13-8-11(4-7-14(13)19(16)3)15(20)9-17-12-5-6-12/h4,7-8,10,12,17H,5-6,9H2,1-3H3
InChIKeyQQUJAONPCWZGNP-UHFFFAOYSA-N
XLogP2.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The IUPAC name of 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone (CID 96679214) is 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The canonical SMILES for 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone is CC(C)c1nc2cc(C(=O)CNC3CC3)ccc2n1C.
What is the InChIKey of 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
The InChIKey is QQUJAONPCWZGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)16-18-13-8-11(4-7-14(13)19(16)3)15(20)9-17-12-5-6-12/h4,7-8,10,12,17H,5-6,9H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone?
2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone has a molecular weight of 271.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone is sourced from PubChem (CID 96679214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).