4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol

C21H25N3O3 — CID 163055620

IUPAC4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol
SMILESCOc1ccc(C2CC(O)C(O)C2NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C21H25N3O3/c1-24-17-6-4-3-5-16(17)23-19(24)12-22-20-15(11-18(25)21(20)26)13-7-9-14(27-2)10-8-13/h3-10,15,18,20-22,25-26H,11-12H2,1-2H3
InChIKeyYQDBFTYYFIUICK-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.95
Rot. Bonds5

About 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol

4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol (PubChem CID 163055620) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol
PubChem CID163055620
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol
SMILESCOc1ccc(C2CC(O)C(O)C2NCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C21H25N3O3/c1-24-17-6-4-3-5-16(17)23-19(24)12-22-20-15(11-18(25)21(20)26)13-7-9-14(27-2)10-8-13/h3-10,15,18,20-22,25-26H,11-12H2,1-2H3
InChIKeyYQDBFTYYFIUICK-UHFFFAOYSA-N
XLogP1.95
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 63002126
trans-(1R,2R)-2-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexan-1-ol
CID 98562090
2,2-difluoro-2-(4-methoxyphenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 75389540
2,2,3,3-tetramethyl-N-[(1-methylbenzimidazol-2-yl)methyl]cyclopropan-1-amine
CID 79351807
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
(3S,5S)-5-(3-methoxyphenyl)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 100736655
1-[(4-methoxyphenyl)methyl]-1,2-dimethyl-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine
CID 111272567
N-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-amine
CID 63001270
2-[3-(4-methoxyphenyl)propyl]-1-methylbenzimidazole
CID 11737586
2-methoxy-N-[(1-methylbenzimidazol-2-yl)methyl]propan-1-amine
CID 102696777
1-ethyl-2-[(4-methoxyphenyl)methyl]-3-[(1-methylbenzimidazol-2-yl)methyl]guanidine;hydroiodide
CID 111181296
(1S)-N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 95177731

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol?
The IUPAC name of 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol (CID 163055620) is 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol?
The canonical SMILES for 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol is COc1ccc(C2CC(O)C(O)C2NCc2nc3ccccc3n2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol?
The InChIKey is YQDBFTYYFIUICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-24-17-6-4-3-5-16(17)23-19(24)12-22-20-15(11-18(25)21(20)26)13-7-9-14(27-2)10-8-13/h3-10,15,18,20-22,25-26H,11-12H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol?
4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol has a molecular weight of 367.45 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-[(1-methylbenzimidazol-2-yl)methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 163055620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).