ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone

C16H24N4O — CID 144710536

IUPACethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCC.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cc2[nH]1
InChIInChI=1S/C14H18N4O.C2H6/c1-10-15-12-4-3-11(9-13(12)16-10)14(19)18-7-5-17(2)6-8-18;1-2/h3-4,9H,5-8H2,1-2H3,(H,15,16);1-2H3
InChIKeyLGILWIOWUFOYCQ-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.29
Rot. Bonds1

About ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone

ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 144710536) has the molecular formula C16H24N4O and a molecular weight of 288.40 g/mol. Its IUPAC name is ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Nameethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID144710536
Molecular FormulaC16H24N4O
Molecular Weight288.40 g/mol
Exact Mass288.20
IUPAC Nameethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCC.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cc2[nH]1
InChIInChI=1S/C14H18N4O.C2H6/c1-10-15-12-4-3-11(9-13(12)16-10)14(19)18-7-5-17(2)6-8-18;1-2/h3-4,9H,5-8H2,1-2H3,(H,15,16);1-2H3
InChIKeyLGILWIOWUFOYCQ-UHFFFAOYSA-N
XLogP2.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373
(6S)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964374
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 125011280
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
(2-methyl-3H-benzimidazol-5-yl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814093
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
4-(2-methyl-3H-benzimidazole-5-carbonyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110813696
3-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 110814711

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 144710536) is ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone is CC.Cc1nc2ccc(C(=O)N3CCN(C)CC3)cc2[nH]1.
What is the InChIKey of ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LGILWIOWUFOYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.C2H6/c1-10-15-12-4-3-11(9-13(12)16-10)14(19)18-7-5-17(2)6-8-18;1-2/h3-4,9H,5-8H2,1-2H3,(H,15,16);1-2H3.
What are the key properties of ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 288.40 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 144710536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).