2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

C14H16ClN3 — CID 115066207

IUPAC2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESNC1CCc2nc(Cc3ccccc3Cl)[nH]c2C1
InChIInChI=1S/C14H16ClN3/c15-11-4-2-1-3-9(11)7-14-17-12-6-5-10(16)8-13(12)18-14/h1-4,10H,5-8,16H2,(H,17,18)
InChIKeyAQKCAURLCRRZOQ-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.47
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine

2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (PubChem CID 115066207) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
PubChem CID115066207
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
SMILESNC1CCc2nc(Cc3ccccc3Cl)[nH]c2C1
InChIInChI=1S/C14H16ClN3/c15-11-4-2-1-3-9(11)7-14-17-12-6-5-10(16)8-13(12)18-14/h1-4,10H,5-8,16H2,(H,17,18)
InChIKeyAQKCAURLCRRZOQ-UHFFFAOYSA-N
XLogP2.47
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine (CID 115066207) is 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is NC1CCc2nc(Cc3ccccc3Cl)[nH]c2C1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
The InChIKey is AQKCAURLCRRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-11-4-2-1-3-9(11)7-14-17-12-6-5-10(16)8-13(12)18-14/h1-4,10H,5-8,16H2,(H,17,18).
What are the key properties of 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine?
2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine has a molecular weight of 261.76 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine is sourced from PubChem (CID 115066207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).