N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

C16H21N3O2 — CID 111332930

IUPACN-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3(O)CCCC3)ccc2n1C
InChIInChI=1S/C16H21N3O2/c1-11-18-13-9-12(5-6-14(13)19(11)2)15(20)17-10-16(21)7-3-4-8-16/h5-6,9,21H,3-4,7-8,10H2,1-2H3,(H,17,20)
InChIKeyYJNBBMDADXEPJM-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.92
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (PubChem CID 111332930) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
PubChem CID111332930
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)NCC3(O)CCCC3)ccc2n1C
InChIInChI=1S/C16H21N3O2/c1-11-18-13-9-12(5-6-14(13)19(11)2)15(20)17-10-16(21)7-3-4-8-16/h5-6,9,21H,3-4,7-8,10H2,1-2H3,(H,17,20)
InChIKeyYJNBBMDADXEPJM-UHFFFAOYSA-N
XLogP1.92
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide (CID 111332930) is N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is Cc1nc2cc(C(=O)NCC3(O)CCCC3)ccc2n1C.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
The InChIKey is YJNBBMDADXEPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-18-13-9-12(5-6-14(13)19(11)2)15(20)17-10-16(21)7-3-4-8-16/h5-6,9,21H,3-4,7-8,10H2,1-2H3,(H,17,20).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-1,2-dimethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 111332930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).