N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine

C14H20N4 — CID 103982041

IUPACN-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
SMILESc1ccc2[nH]c(CNC3CCCNCC3)nc2c1
InChIInChI=1S/C14H20N4/c1-2-6-13-12(5-1)17-14(18-13)10-16-11-4-3-8-15-9-7-11/h1-2,5-6,11,15-16H,3-4,7-10H2,(H,17,18)
InChIKeySZUIOLYIXQQGPR-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.79
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine

N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine (PubChem CID 103982041) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
PubChem CID103982041
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
SMILESc1ccc2[nH]c(CNC3CCCNCC3)nc2c1
InChIInChI=1S/C14H20N4/c1-2-6-13-12(5-1)17-14(18-13)10-16-11-4-3-8-15-9-7-11/h1-2,5-6,11,15-16H,3-4,7-10H2,(H,17,18)
InChIKeySZUIOLYIXQQGPR-UHFFFAOYSA-N
XLogP1.79
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine (CID 103982041) is N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine is c1ccc2[nH]c(CNC3CCCNCC3)nc2c1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine?
The InChIKey is SZUIOLYIXQQGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-6-13-12(5-1)17-14(18-13)10-16-11-4-3-8-15-9-7-11/h1-2,5-6,11,15-16H,3-4,7-10H2,(H,17,18).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine?
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine has a molecular weight of 244.34 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 103982041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).