N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine

C14H21N3 — CID 83961810

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
SMILESCCCCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3/c1-2-3-10-15-11-6-9-14-16-12-7-4-5-8-13(12)17-14/h4-5,7-8,15H,2-3,6,9-11H2,1H3,(H,16,17)
InChIKeyHALNHKNBXWOGAB-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.89
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine

N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine (PubChem CID 83961810) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
PubChem CID83961810
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
SMILESCCCCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H21N3/c1-2-3-10-15-11-6-9-14-16-12-7-4-5-8-13(12)17-14/h4-5,7-8,15H,2-3,6,9-11H2,1H3,(H,16,17)
InChIKeyHALNHKNBXWOGAB-UHFFFAOYSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
2-docosyl-1H-benzimidazole
CID 141189761
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
2-heptadecyl-1H-benzimidazole;sulfuric acid
CID 70491996
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine (CID 83961810) is N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine is CCCCNCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine?
The InChIKey is HALNHKNBXWOGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-2-3-10-15-11-6-9-14-16-12-7-4-5-8-13(12)17-14/h4-5,7-8,15H,2-3,6,9-11H2,1H3,(H,16,17).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine?
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine is sourced from PubChem (CID 83961810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).