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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Related Compounds

2-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)ethanone
CID 82497951
N-cyclopentyl-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765952
3-(methylamino)-1-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)propan-1-one
CID 96677452
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
N-(4-acetylphenyl)-1-methyl-2-propan-2-ylbenzimidazole-5-carboxamide
CID 110765986
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
CID 96677034
1-cyclopentyl-3-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)urea
CID 110774752
1-[4-(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805835
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
2-(cyclopropylamino)-1-(2-methyl-1,3-benzoxazol-6-yl)ethanone
CID 82495046
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304

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).