1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine

C14H18ClN3 — CID 61291416

IUPAC1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3[nH]2)CCCCCC1
InChIInChI=1S/C14H18ClN3/c15-10-5-6-11-12(9-10)18-13(17-11)14(16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,16H2,(H,17,18)
InChIKeyHHVZURHVDXGYDC-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.72
Rot. Bonds1

About 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine

1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine (PubChem CID 61291416) has the molecular formula C14H18ClN3 and a molecular weight of 263.77 g/mol. Its IUPAC name is 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
PubChem CID61291416
Molecular FormulaC14H18ClN3
Molecular Weight263.77 g/mol
Exact Mass263.12
IUPAC Name1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3ccc(Cl)cc3[nH]2)CCCCCC1
InChIInChI=1S/C14H18ClN3/c15-10-5-6-11-12(9-10)18-13(17-11)14(16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,16H2,(H,17,18)
InChIKeyHHVZURHVDXGYDC-UHFFFAOYSA-N
XLogP3.72
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine (CID 61291416) is 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine is NC1(c2nc3ccc(Cl)cc3[nH]2)CCCCCC1.
What is the InChIKey of 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is HHVZURHVDXGYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3/c15-10-5-6-11-12(9-10)18-13(17-11)14(16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,16H2,(H,17,18).
What are the key properties of 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 263.77 g/mol, XLogP of 3.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 61291416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).