[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol

C14H13ClN4O — CID 159917142

IUPAC[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol
SMILESCn1c(CO)nc2cc(Cc3ccnc(Cl)n3)ccc21
InChIInChI=1S/C14H13ClN4O/c1-19-12-3-2-9(7-11(12)18-13(19)8-20)6-10-4-5-16-14(15)17-10/h2-5,7,20H,6,8H2,1H3
InChIKeyNXXSHMPVSRTMIM-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.10
Rot. Bonds3

About [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol

[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol (PubChem CID 159917142) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol
PubChem CID159917142
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol
SMILESCn1c(CO)nc2cc(Cc3ccnc(Cl)n3)ccc21
InChIInChI=1S/C14H13ClN4O/c1-19-12-3-2-9(7-11(12)18-13(19)8-20)6-10-4-5-16-14(15)17-10/h2-5,7,20H,6,8H2,1H3
InChIKeyNXXSHMPVSRTMIM-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
2-(hydroxymethyl)-1-methylbenzimidazole-5-carboxylic acid;hydrochloride
CID 126810084
(5-azido-1-methylbenzimidazol-2-yl)methanol
CID 152615576
N-[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]formamide
CID 168650786
[2-[(dimethylamino)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65037741
(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)methanol
CID 82333770
5-[5-(3-chloropropyl)-1-methylbenzimidazol-2-yl]pentan-2-one
CID 147081851
[2-[(2-fluorophenyl)methyl]-1-methylbenzimidazol-5-yl]methanamine
CID 65038217
[1-methyl-2-(thiophen-3-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040340
1-methyl-5-[[1-methyl-2-(5-methyl-2-pyridinyl)benzimidazol-5-yl]methyl]-2-(5-methyl-2-pyridinyl)benzimidazole
CID 86176828
2-[[2-(hydroxymethyl)-1-methylbenzimidazol-5-yl]amino]ethene-1,1,2-tricarbonitrile
CID 168607058
[1-methyl-2-(thiophen-2-ylmethyl)benzimidazol-5-yl]methanamine
CID 65040104

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol?
The IUPAC name of [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol (CID 159917142) is [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol.
What is the SMILES notation for [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol?
The canonical SMILES for [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol is Cn1c(CO)nc2cc(Cc3ccnc(Cl)n3)ccc21.
What is the InChIKey of [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol?
The InChIKey is NXXSHMPVSRTMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-19-12-3-2-9(7-11(12)18-13(19)8-20)6-10-4-5-16-14(15)17-10/h2-5,7,20H,6,8H2,1H3.
What are the key properties of [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol?
[5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol has a molecular weight of 288.74 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloropyrimidin-4-yl)methyl]-1-methylbenzimidazol-2-yl]methanol is sourced from PubChem (CID 159917142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).