N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide

C18H20N4OS — CID 70693712

IUPACN-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1nc2c(N(C)C)cccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H20N4OS/c1-11-19-17-13(21(2)3)5-4-6-14(17)22(11)16-10-9-15(24-16)18(23)20-12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,23)
InChIKeyXDOYVDNCPVBSAW-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.35
Rot. Bonds4

About N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide

N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide (PubChem CID 70693712) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide
PubChem CID70693712
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC NameN-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide
SMILESCc1nc2c(N(C)C)cccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C18H20N4OS/c1-11-19-17-13(21(2)3)5-4-6-14(17)22(11)16-10-9-15(24-16)18(23)20-12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,23)
InChIKeyXDOYVDNCPVBSAW-UHFFFAOYSA-N
XLogP3.35
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

YM298198
CID 9819432
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenylthiophene-2-carboxamide
CID 11341428
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-acetylthiophene-2-carboxamide
CID 25190522
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(pyrrolidin-1-yl)thiophene-2-carboxamide
CID 25190536
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperidin-1-yl)thiophene-2-carboxamide
CID 25190537
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(piperazin-1-yl)thiophene-2-carboxamide
CID 25190538
5-(4-Cyano-2-Methyl-1h-Benzimidazol-1-Yl)-N-Cyclopropylthiophene-2-Carboxamide
CID 53494972
N-[2-(1-methylpyrrol-2-yl)-3H-benzimidazol-5-yl]thiophene-2-carboxamide
CID 828652
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-3-carboxamide
CID 25190511
2-Aminobenzimidazole with trans-stilbene, 8b
CID 25190545
2-Aminobenzimidazole with trans-stilbene, 8c
CID 25190546

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide (CID 70693712) is N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide is Cc1nc2c(N(C)C)cccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide?
The InChIKey is XDOYVDNCPVBSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-11-19-17-13(21(2)3)5-4-6-14(17)22(11)16-10-9-15(24-16)18(23)20-12-7-8-12/h4-6,9-10,12H,7-8H2,1-3H3,(H,20,23).
What are the key properties of N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide?
N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[4-(dimethylamino)-2-methylbenzimidazol-1-yl]thiophene-2-carboxamide is sourced from PubChem (CID 70693712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).