2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine

C15H18ClN3O — CID 115473204

IUPAC2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
SMILESClc1ccc2nc(CC3CNCCO3)n(C3CC3)c2c1
InChIInChI=1S/C15H18ClN3O/c16-10-1-4-13-14(7-10)19(11-2-3-11)15(18-13)8-12-9-17-5-6-20-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2
InChIKeyKSSCPGQCZVKHRK-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.56
Rot. Bonds3

About 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine

2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine (PubChem CID 115473204) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
PubChem CID115473204
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
SMILESClc1ccc2nc(CC3CNCCO3)n(C3CC3)c2c1
InChIInChI=1S/C15H18ClN3O/c16-10-1-4-13-14(7-10)19(11-2-3-11)15(18-13)8-12-9-17-5-6-20-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2
InChIKeyKSSCPGQCZVKHRK-UHFFFAOYSA-N
XLogP2.56
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 66422945
6-chloro-1-cyclopropyl-2-(piperidin-4-ylmethyl)benzimidazole
CID 115473348
6-chloro-2-(chloromethyl)-1-cyclopentylbenzimidazole
CID 115470830
6-chloro-1-cyclopropyl-2-(1,4-diazepan-1-ylmethyl)benzimidazole
CID 115473196
2-[(1,5-dimethylbenzimidazol-2-yl)methyl]morpholine
CID 66420976
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
6-chloro-1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole
CID 84633641
(2S)-2-[[5-(4-chlorophenyl)-2-(1-methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methyl]morpholine
CID 97455033
2-[(1-methylimidazo[4,5-c]pyridin-2-yl)methyl]morpholine
CID 66434955
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]butan-1-amine
CID 115473342
6-chloro-1-ethyl-2-pyrrolidin-3-ylbenzimidazole
CID 113316602
4-(6-chloro-1-cyclopropylbenzimidazol-2-yl)-3,3-dimethylbutanoic acid
CID 115472319

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
The IUPAC name of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine (CID 115473204) is 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine.
What is the SMILES notation for 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
The canonical SMILES for 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine is Clc1ccc2nc(CC3CNCCO3)n(C3CC3)c2c1.
What is the InChIKey of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
The InChIKey is KSSCPGQCZVKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-10-1-4-13-14(7-10)19(11-2-3-11)15(18-13)8-12-9-17-5-6-20-12/h1,4,7,11-12,17H,2-3,5-6,8-9H2.
What are the key properties of 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine?
2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine has a molecular weight of 291.78 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine is sourced from PubChem (CID 115473204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).