[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone

C28H30N4O2 — CID 141306130

IUPAC[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)c1
InChIInChI=1S/C28H30N4O2/c1-31(2)21-13-15-32(16-14-21)22-11-12-24-25(18-22)30-28(29-24)27(33)20-8-6-7-19(17-20)23-9-4-5-10-26(23)34-3/h4-12,17-18,21H,13-16H2,1-3H3,(H,29,30)
InChIKeyMMHFXQOQIZSHDZ-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.00
Rot. Bonds6

About [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone

[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone (PubChem CID 141306130) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone
PubChem CID141306130
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Name[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone
SMILESCOc1ccccc1-c1cccc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)c1
InChIInChI=1S/C28H30N4O2/c1-31(2)21-13-15-32(16-14-21)22-11-12-24-25(18-22)30-28(29-24)27(33)20-8-6-7-19(17-20)23-9-4-5-10-26(23)34-3/h4-12,17-18,21H,13-16H2,1-3H3,(H,29,30)
InChIKeyMMHFXQOQIZSHDZ-UHFFFAOYSA-N
XLogP5.00
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone with MolForge

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Related Compounds

[2-(benzimidazol-1-yl)-4-pyridinyl]-[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]methanone
CID 66599713
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-4-fluorophenyl]methanone
CID 67287574
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpiperidin-4-amine
CID 57416153
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
[2-(4-fluorophenyl)azetidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 91793401
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-(dimethylamino)piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452719
1-(4-methoxy-3-nitrosophenyl)-N,N-dimethylpiperidin-4-amine
CID 167154013
2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 135820292
[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 131945890
(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374

Frequently Asked Questions

What is the IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The IUPAC name of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone (CID 141306130) is [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The canonical SMILES for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone is COc1ccccc1-c1cccc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)c1.
What is the InChIKey of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
The InChIKey is MMHFXQOQIZSHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-31(2)21-13-15-32(16-14-21)22-11-12-24-25(18-22)30-28(29-24)27(33)20-8-6-7-19(17-20)23-9-4-5-10-26(23)34-3/h4-12,17-18,21H,13-16H2,1-3H3,(H,29,30).
What are the key properties of [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone?
[6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone has a molecular weight of 454.57 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(dimethylamino)piperidin-1-yl]-1H-benzimidazol-2-yl]-[3-(2-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 141306130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).