(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

C13H15ClN4O — CID 10446295

IUPAC(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyMOIWSUQWIOVGRH-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.60
Rot. Bonds1

About (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone

(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 10446295) has the molecular formula C13H15ClN4O and a molecular weight of 278.74 g/mol. Its IUPAC name is (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID10446295
Molecular FormulaC13H15ClN4O
Molecular Weight278.74 g/mol
Exact Mass278.09
IUPAC Name(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16)
InChIKeyMOIWSUQWIOVGRH-UHFFFAOYSA-N
XLogP1.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 10446295) is (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is MOIWSUQWIOVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O/c1-17-4-6-18(7-5-17)13(19)12-15-10-3-2-9(14)8-11(10)16-12/h2-3,8H,4-7H2,1H3,(H,15,16).
What are the key properties of (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 278.74 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-1H-benzimidazol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 10446295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).