6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine

C13H17ClN4O — CID 141252313

IUPAC6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine
SMILESClc1cc2[nH]cnc2cc1NCCN1CCOCC1
InChIInChI=1S/C13H17ClN4O/c14-10-7-12-13(17-9-16-12)8-11(10)15-1-2-18-3-5-19-6-4-18/h7-9,15H,1-6H2,(H,16,17)
InChIKeyRTQIWOQAVQVTFE-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.96
Rot. Bonds4

About 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine

6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine (PubChem CID 141252313) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine.

Molecular Properties

Compound Name6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine
PubChem CID141252313
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine
SMILESClc1cc2[nH]cnc2cc1NCCN1CCOCC1
InChIInChI=1S/C13H17ClN4O/c14-10-7-12-13(17-9-16-12)8-11(10)15-1-2-18-3-5-19-6-4-18/h7-9,15H,1-6H2,(H,16,17)
InChIKeyRTQIWOQAVQVTFE-UHFFFAOYSA-N
XLogP1.96
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine?
The IUPAC name of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine (CID 141252313) is 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine.
What is the SMILES notation for 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine?
The canonical SMILES for 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine is Clc1cc2[nH]cnc2cc1NCCN1CCOCC1.
What is the InChIKey of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine?
The InChIKey is RTQIWOQAVQVTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c14-10-7-12-13(17-9-16-12)8-11(10)15-1-2-18-3-5-19-6-4-18/h7-9,15H,1-6H2,(H,16,17).
What are the key properties of 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine?
6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine has a molecular weight of 280.76 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-morpholin-4-ylethyl)-1H-benzimidazol-5-amine is sourced from PubChem (CID 141252313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).