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

C16H23N3O — CID 79587253

IUPAC1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCc1nc2ccccc2n1CCC1CCCC1(O)CN
InChIInChI=1S/C16H23N3O/c1-12-18-14-6-2-3-7-15(14)19(12)10-8-13-5-4-9-16(13,20)11-17/h2-3,6-7,13,20H,4-5,8-11,17H2,1H3
InChIKeyYBHQYYRTBBMEMX-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.22
Rot. Bonds4

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

1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79587253) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79587253
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCc1nc2ccccc2n1CCC1CCCC1(O)CN
InChIInChI=1S/C16H23N3O/c1-12-18-14-6-2-3-7-15(14)19(12)10-8-13-5-4-9-16(13,20)11-17/h2-3,6-7,13,20H,4-5,8-11,17H2,1H3
InChIKeyYBHQYYRTBBMEMX-UHFFFAOYSA-N
XLogP2.22
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-amine
CID 79864476
1-(aminomethyl)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119835380
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
1-cyclopropyl-1-methyl-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 110029594
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204
1-(cyclopentylmethyl)-2-methylbenzimidazole
CID 112728278
2-[[methyl-[2-(2-methylbenzimidazol-1-yl)ethyl]amino]methyl]cyclopentan-1-ol
CID 109397859
1-cyclopropyl-3-[3-(2-methylbenzimidazol-1-yl)propyl]urea
CID 47238303
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
2-[1-[(2-methylbenzimidazol-1-yl)methyl]cyclopropyl]ethanamine
CID 65481149
2-(2-methylbenzimidazol-1-yl)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707187
1-(aminomethyl)-2-[2-[(2-methylphenyl)methylsulfanyl]ethyl]cyclopentan-1-ol
CID 79587898

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol (CID 79587253) is 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol is Cc1nc2ccccc2n1CCC1CCCC1(O)CN.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is YBHQYYRTBBMEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12-18-14-6-2-3-7-15(14)19(12)10-8-13-5-4-9-16(13,20)11-17/h2-3,6-7,13,20H,4-5,8-11,17H2,1H3.
What are the key properties of 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79587253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).