4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide

C18H16ClN7O — CID 75490916

IUPAC4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCn1c(CCNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21
InChIInChI=1S/C18H16ClN7O/c1-25-15-5-3-2-4-14(15)22-17(25)8-9-20-18(27)13-7-6-12(19)10-16(13)26-11-21-23-24-26/h2-7,10-11H,8-9H2,1H3,(H,20,27)
InChIKeyYLXSCXJQSHPECH-UHFFFAOYSA-N
MW381.83 g/mol
LogP2.17
Rot. Bonds5

About 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide

4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide (PubChem CID 75490916) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
PubChem CID75490916
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC Name4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide
SMILESCn1c(CCNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21
InChIInChI=1S/C18H16ClN7O/c1-25-15-5-3-2-4-14(15)22-17(25)8-9-20-18(27)13-7-6-12(19)10-16(13)26-11-21-23-24-26/h2-7,10-11H,8-9H2,1H3,(H,20,27)
InChIKeyYLXSCXJQSHPECH-UHFFFAOYSA-N
XLogP2.17
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide 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

5-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(tetrazol-1-yl)benzamide
CID 55668878
4-chloro-N-(2-indol-1-ylethyl)-2-(tetrazol-1-yl)benzamide
CID 56761342
3,4-difluoro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 110711954
4-chloro-N-[2-(3-fluorophenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 52901800
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-(tetrazol-1-yl)benzamide
CID 39989934
N-[2-(6-chloroindol-1-yl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 56761302
4-chloro-N-phenyl-2-(tetrazol-1-yl)benzamide
CID 42571537
methyl 2-[[4-chloro-2-(tetrazol-1-yl)benzoyl]amino]acetate
CID 42570048
2-(4-chlorophenoxy)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 16978760
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 75490455
N-(4-bromophenyl)-4-chloro-2-(tetrazol-1-yl)benzamide
CID 42571314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide (CID 75490916) is 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide is Cn1c(CCNC(=O)c2ccc(Cl)cc2-n2cnnn2)nc2ccccc21.
What is the InChIKey of 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
The InChIKey is YLXSCXJQSHPECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-25-15-5-3-2-4-14(15)22-17(25)8-9-20-18(27)13-7-6-12(19)10-16(13)26-11-21-23-24-26/h2-7,10-11H,8-9H2,1H3,(H,20,27).
What are the key properties of 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide?
4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide has a molecular weight of 381.83 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-2-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 75490916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).