2-chloro-1H-benzimidazole;methane

C8H9ClN2 — CID 143998416

IUPAC2-chloro-1H-benzimidazole;methane
SMILESC.Clc1nc2ccccc2[nH]1
InChIInChI=1S/C7H5ClN2.CH4/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H,9,10);1H4
InChIKeyXSESYMRTCASPBT-UHFFFAOYSA-N
MW168.63 g/mol
LogP2.85
Rot. Bonds

About 2-chloro-1H-benzimidazole;methane

2-chloro-1H-benzimidazole;methane (PubChem CID 143998416) has the molecular formula C8H9ClN2 and a molecular weight of 168.63 g/mol. Its IUPAC name is 2-chloro-1H-benzimidazole;methane.

Molecular Properties

Compound Name2-chloro-1H-benzimidazole;methane
PubChem CID143998416
Molecular FormulaC8H9ClN2
Molecular Weight168.63 g/mol
Exact Mass168.05
IUPAC Name2-chloro-1H-benzimidazole;methane
SMILESC.Clc1nc2ccccc2[nH]1
InChIInChI=1S/C7H5ClN2.CH4/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H,9,10);1H4
InChIKeyXSESYMRTCASPBT-UHFFFAOYSA-N
XLogP2.85
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.63
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-chloro-1H-benzimidazole;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1H-benzimidazole
CID 11984
2-(4,6-dichloropyrimidin-2-yl)-1H-benzimidazole
CID 102008085
2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
N-(2-chlorophenyl)-1H-benzimidazol-2-amine
CID 4088446
55,56,57,58,59,60,61,62,63,64,65,66-dodecazatridecacyclo[49.3.1.12,5.16,10.111,14.115,19.120,23.124,28.129,32.133,37.138,41.142,46.147,50]hexahexaconta-1(55),2,4,6(65),7,9,11,13,15(63),16,18,20,22,24(61),25,27,29,31,33,35,37(59),38,40,42,44,46(57),47,49,51,53-triacontaene
CID 102362260
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[2-(1H-benzimidazol-2-yl)propan-2-yl]-1H-benzimidazole
CID 66628016
tris(1H-benzimidazol-2-amine);tetrakis(ruthenium(3+));chloride
CID 10440546
methanamine;2-methyl-1H-benzimidazole
CID 143453689
1H-benzimidazole-2-carbonitrile
CID 843858
CID 157451831
CID 157451831
ethane;2-methyl-1H-benzimidazole;molecular hydrogen
CID 166167875

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1H-benzimidazole;methane?
The IUPAC name of 2-chloro-1H-benzimidazole;methane (CID 143998416) is 2-chloro-1H-benzimidazole;methane.
What is the SMILES notation for 2-chloro-1H-benzimidazole;methane?
The canonical SMILES for 2-chloro-1H-benzimidazole;methane is C.Clc1nc2ccccc2[nH]1.
What is the InChIKey of 2-chloro-1H-benzimidazole;methane?
The InChIKey is XSESYMRTCASPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2.CH4/c8-7-9-5-3-1-2-4-6(5)10-7;/h1-4H,(H,9,10);1H4.
What are the key properties of 2-chloro-1H-benzimidazole;methane?
2-chloro-1H-benzimidazole;methane has a molecular weight of 168.63 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1H-benzimidazole;methane is sourced from PubChem (CID 143998416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).