1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine

C15H24N4 — CID 115205454

IUPAC1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
SMILESCC(C)(N)CCCNCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H24N4/c1-15(2,16)7-3-8-17-9-6-12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11,17H,3,6-9,16H2,1-2H3,(H,18,19)
InChIKeyYEDLMPAKDDUFBX-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds7

About 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine

1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine (PubChem CID 115205454) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
PubChem CID115205454
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine
SMILESCC(C)(N)CCCNCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C15H24N4/c1-15(2,16)7-3-8-17-9-6-12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11,17H,3,6-9,16H2,1-2H3,(H,18,19)
InChIKeyYEDLMPAKDDUFBX-UHFFFAOYSA-N
XLogP2.21
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115136178
2-N-[2-(3H-benzimidazol-5-yl)ethyl]-2-methylpropane-1,2-diamine
CID 115132184
N'-[2-(3H-benzimidazol-5-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252579
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
3-[2-(3H-benzimidazol-5-yl)ethylamino]-2-methylpropanoic acid
CID 115219571
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
10-(3H-benzimidazol-5-yl)decan-1-amine
CID 150986948
6-pentyl-1H-benzimidazole
CID 58767911
6-(2,2-dimethylpropyl)-1H-benzimidazole
CID 58236536
5-(3H-benzimidazol-5-yl)pentan-2-amine
CID 116925069
N-[2-(3H-benzimidazol-5-yl)ethyl]-4-ethylbenzenesulfonamide
CID 110791415

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine?
The IUPAC name of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine (CID 115205454) is 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine?
The canonical SMILES for 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine is CC(C)(N)CCCNCCc1ccc2nc[nH]c2c1.
What is the InChIKey of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine?
The InChIKey is YEDLMPAKDDUFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-15(2,16)7-3-8-17-9-6-12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11,17H,3,6-9,16H2,1-2H3,(H,18,19).
What are the key properties of 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine?
1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3H-benzimidazol-5-yl)ethyl]-4-methylpentane-1,4-diamine is sourced from PubChem (CID 115205454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).