[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone

C32H33N3O2 — CID 177142870

IUPAC[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone
SMILESC/C=C(/c1cccc(O)c1)c1ccc(C(=O)N2CCC(c3nc4ccccc4n3C3CC3)CC2)cc1C
InChIInChI=1S/C32H33N3O2/c1-3-27(23-7-6-8-26(36)20-23)28-14-11-24(19-21(28)2)32(37)34-17-15-22(16-18-34)31-33-29-9-4-5-10-30(29)35(31)25-12-13-25/h3-11,14,19-20,22,25,36H,12-13,15-18H2,1-2H3/b27-3-
InChIKeyFVNAPFZGTNGIQY-MWCIZMGKSA-N
MW491.64 g/mol
LogP6.86
Rot. Bonds5

About [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone

[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone (PubChem CID 177142870) has the molecular formula C32H33N3O2 and a molecular weight of 491.64 g/mol. Its IUPAC name is [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone.

Molecular Properties

Compound Name[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone
PubChem CID177142870
Molecular FormulaC32H33N3O2
Molecular Weight491.64 g/mol
Exact Mass491.26
IUPAC Name[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone
SMILESC/C=C(/c1cccc(O)c1)c1ccc(C(=O)N2CCC(c3nc4ccccc4n3C3CC3)CC2)cc1C
InChIInChI=1S/C32H33N3O2/c1-3-27(23-7-6-8-26(36)20-23)28-14-11-24(19-21(28)2)32(37)34-17-15-22(16-18-34)31-33-29-9-4-5-10-30(29)35(31)25-12-13-25/h3-11,14,19-20,22,25,36H,12-13,15-18H2,1-2H3/b27-3-
InChIKeyFVNAPFZGTNGIQY-MWCIZMGKSA-N
XLogP6.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.64
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(Z)-1-[3-(1-fluoroethyl)phenyl]prop-1-enyl]-3-methylphenyl]-[4-[1-(1-fluoropropyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 177142809
ethane;[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(Z)-1-(4-methylphenyl)prop-1-enyl]phenyl]methanone
CID 177142709
[4-[N-butan-2-yl-C-(3-fluorophenyl)carbonimidoyl]-3-methylphenyl]-[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 177142771
[4-[1-(difluoromethyl)benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(E)-1-[5-(trifluoromethyl)thiophen-3-yl]prop-1-enyl]phenyl]methanone
CID 177142831
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(1Z)-4-methyl-1-(4-methylphenyl)penta-1,4-dienyl]phenyl]methanone
CID 177142675
[4-[(1Z)-4-(cyclopropylmethyl)-1-[3-(1,1-difluoroethyl)phenyl]penta-1,4-dienyl]-3-methylphenyl]-[4-[1-(1-fluoroethyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 177143009
[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-(3-fluorobenzenecarboximidoyl)-3-methylphenyl]methanone;prop-1-yne
CID 177143315
[4-[1-(cyclopropylmethyl)benzimidazol-2-yl]piperidin-1-yl]-[4-(3-fluorobenzenecarboximidoyl)-3-methylphenyl]methanone;2-methylprop-2-enylcyclopropane
CID 177142480
4-cyclopentyl-2-methyl-5-[1-(naphthalene-2-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121114896
[4-[3-(1,1-difluoroethyl)benzenecarboximidoyl]-3-methylphenyl]-[4-[1-(1-fluoropropyl)benzimidazol-2-yl]piperidin-1-yl]methanone
CID 177142941
[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]-[3-methyl-4-[(3-methylphenyl)methoxy]phenyl]methanone
CID 159919309
(3,4-dimethylphenyl)-[4-(6-fluoro-2-phenylbenzimidazol-1-yl)piperidin-1-yl]methanone
CID 46091534

Frequently Asked Questions

What is the IUPAC name of [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone?
The IUPAC name of [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone (CID 177142870) is [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone.
What is the SMILES notation for [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone?
The canonical SMILES for [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone is C/C=C(/c1cccc(O)c1)c1ccc(C(=O)N2CCC(c3nc4ccccc4n3C3CC3)CC2)cc1C.
What is the InChIKey of [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone?
The InChIKey is FVNAPFZGTNGIQY-MWCIZMGKSA-N. The full InChI is InChI=1S/C32H33N3O2/c1-3-27(23-7-6-8-26(36)20-23)28-14-11-24(19-21(28)2)32(37)34-17-15-22(16-18-34)31-33-29-9-4-5-10-30(29)35(31)25-12-13-25/h3-11,14,19-20,22,25,36H,12-13,15-18H2,1-2H3/b27-3-.
What are the key properties of [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone?
[4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone has a molecular weight of 491.64 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-cyclopropylbenzimidazol-2-yl)piperidin-1-yl]-[4-[(Z)-1-(3-hydroxyphenyl)prop-1-enyl]-3-methylphenyl]methanone is sourced from PubChem (CID 177142870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).