1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine

C16H23N3 — CID 105152945

IUPAC1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
SMILESCCCNC(CC1CC1)Cn1cnc2ccccc21
InChIInChI=1S/C16H23N3/c1-2-9-17-14(10-13-7-8-13)11-19-12-18-15-5-3-4-6-16(15)19/h3-6,12-14,17H,2,7-11H2,1H3
InChIKeyDCPHTYVXMJFZAS-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.20
Rot. Bonds7

About 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine

1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine (PubChem CID 105152945) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
PubChem CID105152945
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
SMILESCCCNC(CC1CC1)Cn1cnc2ccccc21
InChIInChI=1S/C16H23N3/c1-2-9-17-14(10-13-7-8-13)11-19-12-18-15-5-3-4-6-16(15)19/h3-6,12-14,17H,2,7-11H2,1H3
InChIKeyDCPHTYVXMJFZAS-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105138856
1-(benzimidazol-1-yl)-N-propylhept-6-yn-2-amine
CID 105179707
1-(benzimidazol-1-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 105134365
N-[2-(benzimidazol-1-yl)-1-pyridin-3-ylethyl]propan-1-amine
CID 105098601
1-(benzimidazol-1-yl)-N-ethylpent-4-en-2-amine
CID 105108409
2-(benzimidazol-1-yl)-1-cyclopentylethanol
CID 113449219
[1-(benzimidazol-1-yl)-4-methylpentan-2-yl]hydrazine
CID 105282683
[2-(benzimidazol-1-yl)-1-cycloheptylethyl]hydrazine
CID 105330603
1-(benzimidazol-1-yl)-N-ethylpent-4-yn-2-amine
CID 105077571
2-(benzimidazol-1-yl)-1-cyclohexylethanamine
CID 113448385
2-(benzimidazol-1-yl)-1-cyclohexylethanol
CID 113449220

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
The IUPAC name of 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine (CID 105152945) is 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine is CCCNC(CC1CC1)Cn1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
The InChIKey is DCPHTYVXMJFZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-9-17-14(10-13-7-8-13)11-19-12-18-15-5-3-4-6-16(15)19/h3-6,12-14,17H,2,7-11H2,1H3.
What are the key properties of 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine?
1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-3-cyclopropyl-N-propylpropan-2-amine is sourced from PubChem (CID 105152945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).