N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine

C12H17N3 — CID 82336831

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3/c1-2-8-13-9-7-12-14-10-5-3-4-6-11(10)15-12/h3-6,13H,2,7-9H2,1H3,(H,14,15)
InChIKeyOPOCMMCJCYEKSM-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.11
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine

N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 82336831) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
PubChem CID82336831
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNCCc1nc2ccccc2[nH]1
InChIInChI=1S/C12H17N3/c1-2-8-13-9-7-12-14-10-5-3-4-6-11(10)15-12/h3-6,13H,2,7-9H2,1H3,(H,14,15)
InChIKeyOPOCMMCJCYEKSM-UHFFFAOYSA-N
XLogP2.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.11
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
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
2-docosyl-1H-benzimidazole
CID 141189761
N-[2-(6-propan-2-yl-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82331830
4-[[2-(1H-benzimidazol-2-yl)ethylamino]methyl]-N,N-diethylaniline
CID 124824368
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
2-(1H-benzimidazol-2-yl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 66526945
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine (CID 82336831) is N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine is CCCNCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is OPOCMMCJCYEKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-8-13-9-7-12-14-10-5-3-4-6-11(10)15-12/h3-6,13H,2,7-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine?
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 203.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82336831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).