N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide

C19H16ClN5OS — CID 6492143

IUPACN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc21
InChIInChI=1S/C19H16ClN5OS/c1-3-25-11(2)21-15-10-12(8-9-16(15)25)17(26)22-19-24-23-18(27-19)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,22,24,26)
InChIKeyXVIRKMLXYXXALH-UHFFFAOYSA-N
MW397.89 g/mol
LogP4.79
Rot. Bonds4

About N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide

N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide (PubChem CID 6492143) has the molecular formula C19H16ClN5OS and a molecular weight of 397.89 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide
PubChem CID6492143
Molecular FormulaC19H16ClN5OS
Molecular Weight397.89 g/mol
Exact Mass397.08
IUPAC NameN-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide
SMILESCCn1c(C)nc2cc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc21
InChIInChI=1S/C19H16ClN5OS/c1-3-25-11(2)21-15-10-12(8-9-16(15)25)17(26)22-19-24-23-18(27-19)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,22,24,26)
InChIKeyXVIRKMLXYXXALH-UHFFFAOYSA-N
XLogP4.79
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.89
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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2-chloro-N-[(2S)-7-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-a]benzimidazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 122193794
2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide
CID 44246492
1-(4-Chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea
CID 2324818
1-(2,4-Dichlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]thiourea
CID 2325968
1-(3-Chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]urea
CID 2328618
1-(2-Chlorophenyl)-3-[[(1-ethyl-2-methyl-5-benzimidazolyl)-oxomethyl]amino]thiourea
CID 2329604
N-[[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]carbamothioyl]benzamide
CID 2324824
N-(5-pentyl-1,3,4-thiadiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 2501787
1-(4-Chlorophenyl)-3-[(1-ethyl-2-methylbenzimidazole-5-carbonyl)amino]thiourea
CID 2325941
3-Chloro-4-(2-chlorophenyl)-1-[5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-thiadiazol-2-yl]azetidin-2-one
CID 42631421
2-[(2-Chlorophenyl)methylamino]-1-(2-phenylethyl)benzimidazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide (CID 6492143) is N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide is CCn1c(C)nc2cc(C(=O)Nc3nnc(-c4ccccc4Cl)s3)ccc21.
What is the InChIKey of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
The InChIKey is XVIRKMLXYXXALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5OS/c1-3-25-11(2)21-15-10-12(8-9-16(15)25)17(26)22-19-24-23-18(27-19)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,22,24,26).
What are the key properties of N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide?
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide has a molecular weight of 397.89 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-2-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 6492143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).