N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine

C14H19N3 — CID 82495016

IUPACN-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C14H19N3/c1-10(2)15-8-11-3-6-14-13(7-11)16-9-17(14)12-4-5-12/h3,6-7,9-10,12,15H,4-5,8H2,1-2H3
InChIKeyYOZOPQPFYCOMTG-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.87
Rot. Bonds4

About N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine

N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine (PubChem CID 82495016) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
PubChem CID82495016
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1ccc2c(c1)ncn2C1CC1
InChIInChI=1S/C14H19N3/c1-10(2)15-8-11-3-6-14-13(7-11)16-9-17(14)12-4-5-12/h3,6-7,9-10,12,15H,4-5,8H2,1-2H3
InChIKeyYOZOPQPFYCOMTG-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopropylbenzimidazol-5-yl)propan-1-amine
CID 82492930
2-(1-cyclopropylbenzimidazol-5-yl)acetic acid
CID 82492988
1-cyclopropyl-5-(piperidin-2-ylmethyl)benzimidazole
CID 82499656
N'-[(1-cyclopropylbenzimidazol-5-yl)methyl]-N'-methylethane-1,2-diamine
CID 96674922
N-(quinoxalin-6-ylmethyl)propan-2-amine
CID 62848682
5-bromo-1-cyclopropylbenzimidazole
CID 82496945
1-cyclohexyl-N-[[4-(dimethylamino)phenyl]methyl]benzimidazol-5-amine
CID 949185
2-(1-cyclopropylbenzimidazol-5-yl)-N-methylpropan-2-amine
CID 82495022
1-cyclohexyl-N-[(4-ethylphenyl)methyl]benzimidazole-5-carboxamide
CID 4583884
1-(4-methylcyclohexyl)benzimidazol-5-amine
CID 62507500
5-chloro-1-cyclohexylbenzimidazole
CID 15429072
N-[[4-(benzimidazol-1-yl)-3-methylphenyl]methyl]propan-2-amine
CID 62124742

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine (CID 82495016) is N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine is CC(C)NCc1ccc2c(c1)ncn2C1CC1.
What is the InChIKey of N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine?
The InChIKey is YOZOPQPFYCOMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10(2)15-8-11-3-6-14-13(7-11)16-9-17(14)12-4-5-12/h3,6-7,9-10,12,15H,4-5,8H2,1-2H3.
What are the key properties of N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine?
N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylbenzimidazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 82495016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).