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

C16H23N3O — CID 96679913

IUPAC1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
SMILESCc1nc2cc(C(=O)CNC(C)C)ccc2n1C(C)C
InChIInChI=1S/C16H23N3O/c1-10(2)17-9-16(20)13-6-7-15-14(8-13)18-12(5)19(15)11(3)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeyHIALHCDENXOYTA-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.11
Rot. Bonds5

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

1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 96679913) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
PubChem CID96679913
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone
SMILESCc1nc2cc(C(=O)CNC(C)C)ccc2n1C(C)C
InChIInChI=1S/C16H23N3O/c1-10(2)17-9-16(20)13-6-7-15-14(8-13)18-12(5)19(15)11(3)4/h6-8,10-11,17H,9H2,1-5H3
InChIKeyHIALHCDENXOYTA-UHFFFAOYSA-N
XLogP3.11
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-4-oxobutanoic acid
CID 82502143
3-methyl-1-[4-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800921
2-methyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786059
2,2-dimethyl-1-[4-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 110801500
2-methyl-1-pentan-3-ylbenzimidazole-5-carboxylic acid
CID 43322906
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pyridine-4-carboxamide
CID 110786086
2,2-dimethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]propanamide
CID 110786066
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propan-2-ol
CID 117336784
1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
CID 110765911
2-ethyl-N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]butanamide
CID 110786068
N-[(2-methyl-1-propan-2-ylbenzimidazol-5-yl)methyl]pentanamide
CID 110786061
3-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)propanal
CID 117332811

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone (CID 96679913) is 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone is Cc1nc2cc(C(=O)CNC(C)C)ccc2n1C(C)C.
What is the InChIKey of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is HIALHCDENXOYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-10(2)17-9-16(20)13-6-7-15-14(8-13)18-12(5)19(15)11(3)4/h6-8,10-11,17H,9H2,1-5H3.
What are the key properties of 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone?
1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 273.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1-propan-2-ylbenzimidazol-5-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 96679913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).