N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate

C14H10N3O3S- — CID 18615731

IUPACN-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate
SMILESCn1c(NC(=O)[O-])nc2ccc(C(=O)c3cccs3)cc21
InChIInChI=1S/C14H11N3O3S/c1-17-10-7-8(12(18)11-3-2-6-21-11)4-5-9(10)15-13(17)16-14(19)20/h2-7H,1H3,(H,15,16)(H,19,20)/p-1
InChIKeyNFZPLXHAYYYJLS-UHFFFAOYSA-M
MW300.32 g/mol
LogP1.62
Rot. Bonds3

About N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate

N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate (PubChem CID 18615731) has the molecular formula C14H10N3O3S- and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate.

Molecular Properties

Compound NameN-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate
PubChem CID18615731
Molecular FormulaC14H10N3O3S-
Molecular Weight300.32 g/mol
Exact Mass300.04
IUPAC NameN-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate
SMILESCn1c(NC(=O)[O-])nc2ccc(C(=O)c3cccs3)cc21
InChIInChI=1S/C14H11N3O3S/c1-17-10-7-8(12(18)11-3-2-6-21-11)4-5-9(10)15-13(17)16-14(19)20/h2-7H,1H3,(H,15,16)(H,19,20)/p-1
InChIKeyNFZPLXHAYYYJLS-UHFFFAOYSA-M
XLogP1.62
TPSA87.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,6-dimethylbenzimidazol-2-yl)benzamide
CID 12035464
(3-bromophenyl)-thiophen-2-ylmethanone
CID 5305254
(3-aminophenyl)-thiophen-2-ylmethanone
CID 23009095
[2-azaniumyl-4-(thiophene-2-carbonyl)phenyl]azanium chloride
CID 131667569
2-methyl-3-(1-thiophen-2-ylpropyl)benzimidazole-5-carboxylic acid
CID 82773786
methyl N-[1-methyl-6-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]benzimidazol-2-yl]carbamate
CID 72725188
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
3-methyl-4-(thiophene-2-carbonylamino)benzoate
CID 6978677
N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 4838698
N-hydroxy-2-[3-(thiophene-2-carbonyl)phenyl]propanamide
CID 21391750
[9-(2-hydroxyethyl)-6-[(E)-N-hydroxy-C-methylcarbonimidoyl]carbazol-3-yl]-thiophen-2-ylmethanone
CID 156761518
3-amino-N-(1-methylbenzimidazol-2-yl)benzamide
CID 110474422

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate?
The IUPAC name of N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate (CID 18615731) is N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate.
What is the SMILES notation for N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate?
The canonical SMILES for N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate is Cn1c(NC(=O)[O-])nc2ccc(C(=O)c3cccs3)cc21.
What is the InChIKey of N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate?
The InChIKey is NFZPLXHAYYYJLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H11N3O3S/c1-17-10-7-8(12(18)11-3-2-6-21-11)4-5-9(10)15-13(17)16-14(19)20/h2-7H,1H3,(H,15,16)(H,19,20)/p-1.
What are the key properties of N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate?
N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate has a molecular weight of 300.32 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-6-(thiophene-2-carbonyl)benzimidazol-2-yl]carbamate is sourced from PubChem (CID 18615731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).