N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

C18H22N4OS — CID 46994975

IUPACN-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccsc1CN(CCN(C)C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H22N4OS/c1-13-6-9-24-17(13)11-22(8-7-21(2)3)18(23)14-4-5-15-16(10-14)20-12-19-15/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,20)
InChIKeyGCGZJWKLDSTVFN-UHFFFAOYSA-N
MW342.47 g/mol
LogP3.14
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide

N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 46994975) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID46994975
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccsc1CN(CCN(C)C)C(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C18H22N4OS/c1-13-6-9-24-17(13)11-22(8-7-21(2)3)18(23)14-4-5-15-16(10-14)20-12-19-15/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,20)
InChIKeyGCGZJWKLDSTVFN-UHFFFAOYSA-N
XLogP3.14
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 60651360
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176504403
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
N-[2-(dimethylamino)ethyl]-3-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]thiophene-2-carboxamide
CID 135098097
2-[3H-benzimidazole-5-carbonyl(2-methylpropyl)amino]acetic acid
CID 63072381
N-ethyl-N-prop-2-enyl-3H-benzimidazole-5-carboxamide
CID 78984706
N-methyl-N-propan-2-yl-3H-benzimidazole-5-carboxamide
CID 43420531
3-(4,6-dimethyl-2-pyridinyl)-N-(2-hydroxyethyl)-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 118776395
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)-3H-benzimidazole-5-carboxamide
CID 110743759
N-methyl-N-(1H-pyrazol-5-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 29025706
methyl 2-[3H-benzimidazole-5-carbonyl(propyl)amino]acetate
CID 60959275
N-methyl-N-(pyridin-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 43582173

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide (CID 46994975) is N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is Cc1ccsc1CN(CCN(C)C)C(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is GCGZJWKLDSTVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-6-9-24-17(13)11-22(8-7-21(2)3)18(23)14-4-5-15-16(10-14)20-12-19-15/h4-6,9-10,12H,7-8,11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide?
N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 342.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-[(3-methylthiophen-2-yl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46994975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).