1-(1-propylbenzimidazol-2-yl)propan-1-amine

C13H19N3 — CID 43470294

IUPAC1-(1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(C(N)CC)nc2ccccc21
InChIInChI=1S/C13H19N3/c1-3-9-16-12-8-6-5-7-11(12)15-13(16)10(14)4-2/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyLUAGNRBJBVLISD-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.86
Rot. Bonds4

About 1-(1-propylbenzimidazol-2-yl)propan-1-amine

1-(1-propylbenzimidazol-2-yl)propan-1-amine (PubChem CID 43470294) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 1-(1-propylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-propylbenzimidazol-2-yl)propan-1-amine
PubChem CID43470294
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name1-(1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(C(N)CC)nc2ccccc21
InChIInChI=1S/C13H19N3/c1-3-9-16-12-8-6-5-7-11(12)15-13(16)10(14)4-2/h5-8,10H,3-4,9,14H2,1-2H3
InChIKeyLUAGNRBJBVLISD-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propylbenzimidazol-2-yl)pentan-1-amine
CID 43470293
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
2-methoxy-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanamine
CID 81078269
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
(R)-(4-methylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 762129
(R)-(4-propan-2-ylphenyl)-(1-propylbenzimidazol-2-yl)methanol
CID 738052
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(1-propylbenzimidazol-2-yl)propan-1-amine (CID 43470294) is 1-(1-propylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-propylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-propylbenzimidazol-2-yl)propan-1-amine is CCCn1c(C(N)CC)nc2ccccc21.
What is the InChIKey of 1-(1-propylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is LUAGNRBJBVLISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-9-16-12-8-6-5-7-11(12)15-13(16)10(14)4-2/h5-8,10H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(1-propylbenzimidazol-2-yl)propan-1-amine?
1-(1-propylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 217.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 43470294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).