(5-chloro-1H-imidazol-2-yl)-phenylmethanamine

C10H10ClN3 — CID 174450626

IUPAC(5-chloro-1H-imidazol-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ncc(Cl)[nH]1
InChIInChI=1S/C10H10ClN3/c11-8-6-13-10(14-8)9(12)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,13,14)
InChIKeyRWZSZJSUBNIHCU-UHFFFAOYSA-N
MW207.66 g/mol
LogP2.11
Rot. Bonds2

About (5-chloro-1H-imidazol-2-yl)-phenylmethanamine

(5-chloro-1H-imidazol-2-yl)-phenylmethanamine (PubChem CID 174450626) has the molecular formula C10H10ClN3 and a molecular weight of 207.66 g/mol. Its IUPAC name is (5-chloro-1H-imidazol-2-yl)-phenylmethanamine.

Molecular Properties

Compound Name(5-chloro-1H-imidazol-2-yl)-phenylmethanamine
PubChem CID174450626
Molecular FormulaC10H10ClN3
Molecular Weight207.66 g/mol
Exact Mass207.06
IUPAC Name(5-chloro-1H-imidazol-2-yl)-phenylmethanamine
SMILESNC(c1ccccc1)c1ncc(Cl)[nH]1
InChIInChI=1S/C10H10ClN3/c11-8-6-13-10(14-8)9(12)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,13,14)
InChIKeyRWZSZJSUBNIHCU-UHFFFAOYSA-N
XLogP2.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.66
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-imidazol-2-yl)-phenylmethanamine?
The IUPAC name of (5-chloro-1H-imidazol-2-yl)-phenylmethanamine (CID 174450626) is (5-chloro-1H-imidazol-2-yl)-phenylmethanamine.
What is the SMILES notation for (5-chloro-1H-imidazol-2-yl)-phenylmethanamine?
The canonical SMILES for (5-chloro-1H-imidazol-2-yl)-phenylmethanamine is NC(c1ccccc1)c1ncc(Cl)[nH]1.
What is the InChIKey of (5-chloro-1H-imidazol-2-yl)-phenylmethanamine?
The InChIKey is RWZSZJSUBNIHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3/c11-8-6-13-10(14-8)9(12)7-4-2-1-3-5-7/h1-6,9H,12H2,(H,13,14).
What are the key properties of (5-chloro-1H-imidazol-2-yl)-phenylmethanamine?
(5-chloro-1H-imidazol-2-yl)-phenylmethanamine has a molecular weight of 207.66 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-imidazol-2-yl)-phenylmethanamine is sourced from PubChem (CID 174450626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).