2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine

C15H22N4 — CID 82067653

IUPAC2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
SMILESCN(C)CCCn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C15H22N4/c1-18(2)9-4-10-19-13-6-3-5-12(16)14(13)17-15(19)11-7-8-11/h3,5-6,11H,4,7-10,16H2,1-2H3
InChIKeyIECHHELHQHQCMV-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.45
Rot. Bonds5

About 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine

2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine (PubChem CID 82067653) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
PubChem CID82067653
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine
SMILESCN(C)CCCn1c(C2CC2)nc2c(N)cccc21
InChIInChI=1S/C15H22N4/c1-18(2)9-4-10-19-13-6-3-5-12(16)14(13)17-15(19)11-7-8-11/h3,5-6,11H,4,7-10,16H2,1-2H3
InChIKeyIECHHELHQHQCMV-UHFFFAOYSA-N
XLogP2.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-N-methylacetamide
CID 82067647
2-cyclopropyl-1-[(2-fluorophenyl)methyl]benzimidazol-4-amine
CID 82067623
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067577
2-cyclohexyl-1-(2-methylprop-2-enyl)benzimidazol-4-amine
CID 82067737
N'-acetyl-2-(4-amino-2-cyclopropylbenzimidazol-1-yl)acetohydrazide
CID 82067579
1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
CID 82067478
2-(4-amino-2-cyclopropylbenzimidazol-1-yl)-1-morpholin-4-ylethanone
CID 82067581
(4R)-4-[1-[3-(dimethylamino)propyl]benzimidazol-2-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 40698878
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
4-methyl-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-6-amine
CID 171064678
2-cyclopropyl-1-(2-ethoxyethyl)benzimidazole-4-carboxylic acid
CID 115543140

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine?
The IUPAC name of 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine (CID 82067653) is 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine.
What is the SMILES notation for 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine?
The canonical SMILES for 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine is CN(C)CCCn1c(C2CC2)nc2c(N)cccc21.
What is the InChIKey of 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine?
The InChIKey is IECHHELHQHQCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-18(2)9-4-10-19-13-6-3-5-12(16)14(13)17-15(19)11-7-8-11/h3,5-6,11H,4,7-10,16H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine?
2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine has a molecular weight of 258.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(dimethylamino)propyl]benzimidazol-4-amine is sourced from PubChem (CID 82067653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).