2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol

C17H25N3O — CID 109397859

IUPAC2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCc1nc2ccccc2n1CCN(C)CC1CCCC1O
InChIInChI=1S/C17H25N3O/c1-13-18-15-7-3-4-8-16(15)20(13)11-10-19(2)12-14-6-5-9-17(14)21/h3-4,7-8,14,17,21H,5-6,9-12H2,1-2H3
InChIKeyPMGSCUGOHHEJMH-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.44
Rot. Bonds5

About 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol

2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol (PubChem CID 109397859) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
PubChem CID109397859
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
SMILESCc1nc2ccccc2n1CCN(C)CC1CCCC1O
InChIInChI=1S/C17H25N3O/c1-13-18-15-7-3-4-8-16(15)20(13)11-10-19(2)12-14-6-5-9-17(14)21/h3-4,7-8,14,17,21H,5-6,9-12H2,1-2H3
InChIKeyPMGSCUGOHHEJMH-UHFFFAOYSA-N
XLogP2.44
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]propan-2-ol
CID 111750436
N,N-dimethyl-2-(2-methylbenzimidazol-1-yl)ethanamine;ethane
CID 144946605
2-[(1-propylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750412
1-[4-(dimethylamino)azepan-1-yl]-3-(2-methylbenzimidazol-1-yl)propan-1-one
CID 56907377
1-ethyl-2-[(2-hydroxycyclopentyl)methyl]-3-[3-(2-methylbenzimidazol-1-yl)propyl]guanidine;hydroiodide
CID 111838788
2-[(1-ethylbenzimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79750335
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
2-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79750115
N',N'-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 60697290
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol (CID 109397859) is 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol is Cc1nc2ccccc2n1CCN(C)CC1CCCC1O.
What is the InChIKey of 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is PMGSCUGOHHEJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13-18-15-7-3-4-8-16(15)20(13)11-10-19(2)12-14-6-5-9-17(14)21/h3-4,7-8,14,17,21H,5-6,9-12H2,1-2H3.
What are the key properties of 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol?
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109397859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).