1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone

C19H23N5O — CID 126470110

IUPAC1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESCc1cc2nc(C3CCCCN3C(=O)Cn3ccnc3)[nH]c2cc1C
InChIInChI=1S/C19H23N5O/c1-13-9-15-16(10-14(13)2)22-19(21-15)17-5-3-4-7-24(17)18(25)11-23-8-6-20-12-23/h6,8-10,12,17H,3-5,7,11H2,1-2H3,(H,21,22)
InChIKeyDPQDJQGGRCMJBM-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.13
Rot. Bonds3

About 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone

1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone (PubChem CID 126470110) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone.

Molecular Properties

Compound Name1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
PubChem CID126470110
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone
SMILESCc1cc2nc(C3CCCCN3C(=O)Cn3ccnc3)[nH]c2cc1C
InChIInChI=1S/C19H23N5O/c1-13-9-15-16(10-14(13)2)22-19(21-15)17-5-3-4-7-24(17)18(25)11-23-8-6-20-12-23/h6,8-10,12,17H,3-5,7,11H2,1-2H3,(H,21,22)
InChIKeyDPQDJQGGRCMJBM-UHFFFAOYSA-N
XLogP3.13
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 92554910
[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92554912
1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 51584706
5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125006285
2-[1-(2-imidazol-1-ylacetyl)pyrrolidin-2-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881461
1-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-2-imidazol-1-ylethanone
CID 70774951
4-[(2R)-1-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2H-phthalazin-1-one
CID 95849261
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
3-[2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95872803
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-pyridin-4-ylsulfanylethanone
CID 99945467
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 95896480

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The IUPAC name of 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone (CID 126470110) is 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone.
What is the SMILES notation for 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The canonical SMILES for 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone is Cc1cc2nc(C3CCCCN3C(=O)Cn3ccnc3)[nH]c2cc1C.
What is the InChIKey of 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
The InChIKey is DPQDJQGGRCMJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13-9-15-16(10-14(13)2)22-19(21-15)17-5-3-4-7-24(17)18(25)11-23-8-6-20-12-23/h6,8-10,12,17H,3-5,7,11H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone?
1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone has a molecular weight of 337.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-imidazol-1-ylethanone is sourced from PubChem (CID 126470110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).