1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol

C21H26N4O — CID 138043126

IUPAC1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
SMILESCn1c(CNc2ccc(CN3CCC(O)CC3)cc2)nc2ccccc21
InChIInChI=1S/C21H26N4O/c1-24-20-5-3-2-4-19(20)23-21(24)14-22-17-8-6-16(7-9-17)15-25-12-10-18(26)11-13-25/h2-9,18,22,26H,10-15H2,1H3
InChIKeyILYJYOIABPSSOX-UHFFFAOYSA-N
MW350.47 g/mol
LogP3.14
Rot. Bonds5

About 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol

1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol (PubChem CID 138043126) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
PubChem CID138043126
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol
SMILESCn1c(CNc2ccc(CN3CCC(O)CC3)cc2)nc2ccccc21
InChIInChI=1S/C21H26N4O/c1-24-20-5-3-2-4-19(20)23-21(24)14-22-17-8-6-16(7-9-17)15-25-12-10-18(26)11-13-25/h2-9,18,22,26H,10-15H2,1H3
InChIKeyILYJYOIABPSSOX-UHFFFAOYSA-N
XLogP3.14
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]propanoic acid
CID 166237744
1-methyl-2-[(4-methylpiperidin-1-yl)methyl]benzimidazole
CID 6491167
4-[(1-methylbenzimidazol-2-yl)methylamino]benzamide
CID 63757268
N-[(1-methylbenzimidazol-2-yl)methyl]-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 7309525
2,6-dichloro-4-[(1-methylbenzimidazol-2-yl)methylamino]phenol
CID 107679286
1-(1-ethylpiperidin-4-yl)-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 63378932
diethyl 2-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]propanedioate
CID 146681628
6-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]pyridin-3-amine
CID 103825773
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
3,5-dichloro-4-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 107572808
3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
N-[(1-methylbenzimidazol-2-yl)methyl]-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 119124241

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol (CID 138043126) is 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol is Cn1c(CNc2ccc(CN3CCC(O)CC3)cc2)nc2ccccc21.
What is the InChIKey of 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
The InChIKey is ILYJYOIABPSSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-24-20-5-3-2-4-19(20)23-21(24)14-22-17-8-6-16(7-9-17)15-25-12-10-18(26)11-13-25/h2-9,18,22,26H,10-15H2,1H3.
What are the key properties of 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol?
1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol has a molecular weight of 350.47 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(1-methylbenzimidazol-2-yl)methylamino]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 138043126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).