3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone

C14H18N4O — CID 63605111

IUPAC3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3nc[nH]c3c2)CCN1C
InChIInChI=1S/C14H18N4O/c1-10-8-18(6-5-17(10)2)14(19)11-3-4-12-13(7-11)16-9-15-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyOQKCXCQEIPQPSN-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.34
Rot. Bonds1

About 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone

3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63605111) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63605111
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2ccc3nc[nH]c3c2)CCN1C
InChIInChI=1S/C14H18N4O/c1-10-8-18(6-5-17(10)2)14(19)11-3-4-12-13(7-11)16-9-15-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyOQKCXCQEIPQPSN-UHFFFAOYSA-N
XLogP1.34
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-(2-methylthiomorpholin-4-yl)methanone
CID 115612080
3H-benzimidazol-5-yl-[(3R,5S)-3,5-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 136588239
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
(3-aminopiperidin-1-yl)-(3H-benzimidazol-5-yl)methanone
CID 61296468
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
3H-benzimidazol-5-yl-(2-ethylthiomorpholin-4-yl)methanone
CID 115665119
3H-benzimidazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 18847477
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone (CID 63605111) is 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2ccc3nc[nH]c3c2)CCN1C.
What is the InChIKey of 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is OQKCXCQEIPQPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-8-18(6-5-17(10)2)14(19)11-3-4-12-13(7-11)16-9-15-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone?
3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63605111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).