N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide

C18H17N5OS — CID 166327747

IUPACN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
SMILESCN(C)Cc1nc2ccc(NC(=O)c3ccc4sncc4c3)cc2[nH]1
InChIInChI=1S/C18H17N5OS/c1-23(2)10-17-21-14-5-4-13(8-15(14)22-17)20-18(24)11-3-6-16-12(7-11)9-19-25-16/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyOVBLGQZOSPWGGC-UHFFFAOYSA-N
MW351.44 g/mol
LogP3.49
Rot. Bonds4

About N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide

N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide (PubChem CID 166327747) has the molecular formula C18H17N5OS and a molecular weight of 351.44 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
PubChem CID166327747
Molecular FormulaC18H17N5OS
Molecular Weight351.44 g/mol
Exact Mass351.12
IUPAC NameN-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide
SMILESCN(C)Cc1nc2ccc(NC(=O)c3ccc4sncc4c3)cc2[nH]1
InChIInChI=1S/C18H17N5OS/c1-23(2)10-17-21-14-5-4-13(8-15(14)22-17)20-18(24)11-3-6-16-12(7-11)9-19-25-16/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyOVBLGQZOSPWGGC-UHFFFAOYSA-N
XLogP3.49
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2-benzothiazol-5-yl)-4-methoxybenzamide
CID 99823346
2-cyclopropyl-4-(difluoromethyl)-N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,3-oxazole-5-carboxamide
CID 166281315
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 166327748
N-[2-(2-methylpropyl)-3H-benzimidazol-5-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 45493372
4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328967
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
4-(aminomethyl)-N-(2-butyl-3H-benzimidazol-5-yl)benzamide
CID 119854404
2-[6-[(4-methanehydrazonoylbenzoyl)amino]-1H-benzimidazol-2-yl]acetic acid
CID 70062661
3-fluoro-4-methyl-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328987
N-(2-methyl-3H-benzimidazol-5-yl)-1H-indole-6-carboxamide
CID 110205491
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562173
N-[2-[(2-oxopyrrolidin-1-yl)methyl]-3H-benzimidazol-5-yl]isoquinoline-6-carboxamide
CID 172874701

Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide (CID 166327747) is N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide is CN(C)Cc1nc2ccc(NC(=O)c3ccc4sncc4c3)cc2[nH]1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide?
The InChIKey is OVBLGQZOSPWGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS/c1-23(2)10-17-21-14-5-4-13(8-15(14)22-17)20-18(24)11-3-6-16-12(7-11)9-19-25-16/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide?
N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide has a molecular weight of 351.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]-3H-benzimidazol-5-yl]-1,2-benzothiazole-5-carboxamide is sourced from PubChem (CID 166327747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).