[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

C19H20N4O — CID 4915258

IUPAC[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H20N4O/c1-22-10-12-23(13-11-22)19(24)15-7-3-2-6-14(15)18-20-16-8-4-5-9-17(16)21-18/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyDTSUCDHGMBDNAN-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.62
Rot. Bonds2

About [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone

[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 4915258) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID4915258
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccccc2-c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C19H20N4O/c1-22-10-12-23(13-11-22)19(24)15-7-3-2-6-14(15)18-20-16-8-4-5-9-17(16)21-18/h2-9H,10-13H2,1H3,(H,20,21)
InChIKeyDTSUCDHGMBDNAN-UHFFFAOYSA-N
XLogP2.62
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-yl)benzamide
CID 23510026
2-(1H-benzimidazol-2-yl)benzoate;copper(1+)
CID 174857588
aziridin-1-yl(1H-benzimidazol-2-yl)methanone
CID 45077903
2-(1H-benzimidazol-2-yl)-N,N-di(propan-2-yl)benzamide
CID 19166734
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(1H-benzimidazol-2-yl)benzoate
CID 23831631
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
N-[2-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 5137262
3-[(E)-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-oxoprop-1-enyl]-1H-quinoxalin-2-one
CID 11545851
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
[6-(1H-benzimidazol-2-ylamino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 142343961

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone (CID 4915258) is [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccccc2-c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DTSUCDHGMBDNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-10-12-23(13-11-22)19(24)15-7-3-2-6-14(15)18-20-16-8-4-5-9-17(16)21-18/h2-9H,10-13H2,1H3,(H,20,21).
What are the key properties of [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone?
[2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 4915258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).