(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol

C12H16N2O — CID 139248448

IUPAC(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
SMILESCc1nc2ccccc2n1CC[C@H](C)O
InChIInChI=1S/C12H16N2O/c1-9(15)7-8-14-10(2)13-11-5-3-4-6-12(11)14/h3-6,9,15H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyUKMNPCDPCAVRQV-VIFPVBQESA-N
MW204.27 g/mol
LogP2.12
Rot. Bonds3

About (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol

(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol (PubChem CID 139248448) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
PubChem CID139248448
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
SMILESCc1nc2ccccc2n1CC[C@H](C)O
InChIInChI=1S/C12H16N2O/c1-9(15)7-8-14-10(2)13-11-5-3-4-6-12(11)14/h3-6,9,15H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyUKMNPCDPCAVRQV-VIFPVBQESA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylbenzimidazol-1-yl)-1-phenylpropan-1-ol
CID 3689671
1-(3-hydroxybutyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 111337075
2-(2-methylbenzimidazol-1-yl)ethanol
CID 761926
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
5-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]hexan-2-amine
CID 43103364
2-(2-methylbenzimidazol-1-yl)acetic acid
CID 75530217
4-(2-methylbenzimidazol-1-yl)butanenitrile
CID 24690449
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(4-methylpentyl)guanidine
CID 111942807
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
(2S)-2-amino-N-[2-(2-methylbenzimidazol-1-yl)ethyl]propanamide
CID 78968968
2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 55148203

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol?
The IUPAC name of (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol (CID 139248448) is (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol.
What is the SMILES notation for (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol?
The canonical SMILES for (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol is Cc1nc2ccccc2n1CC[C@H](C)O.
What is the InChIKey of (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol?
The InChIKey is UKMNPCDPCAVRQV-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2O/c1-9(15)7-8-14-10(2)13-11-5-3-4-6-12(11)14/h3-6,9,15H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol?
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 139248448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).