N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine

C14H21N3 — CID 95419153

IUPACN-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H21N3/c1-4-8-15-9-7-12-5-6-14-13(10-12)16-11(2)17(14)3/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyVGFAKAUWFOTNRW-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine

N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine (PubChem CID 95419153) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
PubChem CID95419153
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine
SMILESCCCNCCc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C14H21N3/c1-4-8-15-9-7-12-5-6-14-13(10-12)16-11(2)17(14)3/h5-6,10,15H,4,7-9H2,1-3H3
InChIKeyVGFAKAUWFOTNRW-UHFFFAOYSA-N
XLogP2.42
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]ethanol
CID 115216317
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propane-1-thiol
CID 115225159
N'-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]butane-1,4-diamine
CID 115201448
3-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]propanoic acid
CID 112519294
2-(1,2-dimethylbenzimidazol-5-yl)ethylcarbamic acid
CID 115171173
2-(1,2-dimethylbenzimidazol-5-yl)ethanamine
CID 82255152
2-[2-(1,2-dimethylbenzimidazol-5-yl)ethylamino]-2-methylpropan-1-ol
CID 115133588
1-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]-3-propan-2-ylurea
CID 110776234
3-amino-N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propanamide
CID 115153026
N-[2-(5-ethyl-1-propylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333668
2-(1,2-dimethylbenzimidazol-5-yl)acetohydrazide
CID 116843404
1-(1,2-dimethylbenzimidazol-5-yl)-N,N-dimethylmethanamine
CID 117043705

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine (CID 95419153) is N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine is CCCNCCc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine?
The InChIKey is VGFAKAUWFOTNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-8-15-9-7-12-5-6-14-13(10-12)16-11(2)17(14)3/h5-6,10,15H,4,7-9H2,1-3H3.
What are the key properties of N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine?
N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dimethylbenzimidazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 95419153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).