5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one

C14H18ClN3O — CID 82174514

IUPAC5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cc2[nH]c(=O)[nH]c2cc1Cl)C1CCCCC1
InChIInChI=1S/C14H18ClN3O/c15-10-7-12-11(17-14(19)18-12)6-9(10)13(16)8-4-2-1-3-5-8/h6-8,13H,1-5,16H2,(H2,17,18,19)
InChIKeyNIOFDYFGLABOLX-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.09
Rot. Bonds2

About 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one

5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one (PubChem CID 82174514) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
PubChem CID82174514
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one
SMILESNC(c1cc2[nH]c(=O)[nH]c2cc1Cl)C1CCCCC1
InChIInChI=1S/C14H18ClN3O/c15-10-7-12-11(17-14(19)18-12)6-9(10)13(16)8-4-2-1-3-5-8/h6-8,13H,1-5,16H2,(H2,17,18,19)
InChIKeyNIOFDYFGLABOLX-UHFFFAOYSA-N
XLogP3.09
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-cyclohexylmethanamine
CID 113319426
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydroindol-2-one
CID 43457574
5-[amino(oxan-4-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 62906373
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
5-[amino(oxan-3-yl)methyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 55150878
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cyclopentylmethanamine
CID 43152791
(2-chloro-4-methylphenyl)-cycloheptylmethanamine
CID 106858433
(S)-(4-bromo-2-chlorophenyl)-cyclohexylmethanamine
CID 171223645
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
5-chloro-6-[hydroxy(oxolan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 82174527
(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-cyclopentylmethanamine
CID 43152830
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186

Frequently Asked Questions

What is the IUPAC name of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one (CID 82174514) is 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one is NC(c1cc2[nH]c(=O)[nH]c2cc1Cl)C1CCCCC1.
What is the InChIKey of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NIOFDYFGLABOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c15-10-7-12-11(17-14(19)18-12)6-9(10)13(16)8-4-2-1-3-5-8/h6-8,13H,1-5,16H2,(H2,17,18,19).
What are the key properties of 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one?
5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 279.77 g/mol, XLogP of 3.09, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(cyclohexyl)methyl]-6-chloro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82174514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).