[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol

C14H18ClN3O — CID 110921376

IUPAC[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCn1c(CN2CCC[C@@H]2CO)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-17-13-5-4-10(15)7-12(13)16-14(17)8-18-6-2-3-11(18)9-19/h4-5,7,11,19H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyVPZITFLMXCUEAX-LLVKDONJSA-N
MW279.77 g/mol
LogP2.18
Rot. Bonds3

About [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol (PubChem CID 110921376) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
PubChem CID110921376
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
SMILESCn1c(CN2CCC[C@@H]2CO)nc2cc(Cl)ccc21
InChIInChI=1S/C14H18ClN3O/c1-17-13-5-4-10(15)7-12(13)16-14(17)8-18-6-2-3-11(18)9-19/h4-5,7,11,19H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyVPZITFLMXCUEAX-LLVKDONJSA-N
XLogP2.18
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 97008764
5-chloro-1-methyl-2-[(2-pyridin-4-ylazepan-1-yl)methyl]benzimidazole
CID 112841565
[1-[(2,5-dichlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 65321311
4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 851996
1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 56814014
3-amino-N-[[1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911253
[(2R)-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidin-2-yl]methanol
CID 62733109
[1-[(5-chloro-1-methylimidazol-2-yl)methyl]piperidin-2-yl]methanol
CID 60685083
5-chloro-1-methyl-2-(2-piperidin-2-ylethyl)benzimidazole
CID 62217192
[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 141198459
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol (CID 110921376) is [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol is Cn1c(CN2CCC[C@@H]2CO)nc2cc(Cl)ccc21.
What is the InChIKey of [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
The InChIKey is VPZITFLMXCUEAX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-17-13-5-4-10(15)7-12(13)16-14(17)8-18-6-2-3-11(18)9-19/h4-5,7,11,19H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol has a molecular weight of 279.77 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 110921376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).