7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide

C20H21N3O2S — CID 58900198

IUPAC7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c(OC3CCSc4ccccc43)cc(C(=O)N(C)C)cc2[nH]1
InChIInChI=1S/C20H21N3O2S/c1-12-21-15-10-13(20(24)23(2)3)11-17(19(15)22-12)25-16-8-9-26-18-7-5-4-6-14(16)18/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,22)
InChIKeyJZBAYJZZKHTSED-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.19
Rot. Bonds3

About 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide

7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 58900198) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
PubChem CID58900198
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide
SMILESCc1nc2c(OC3CCSc4ccccc43)cc(C(=O)N(C)C)cc2[nH]1
InChIInChI=1S/C20H21N3O2S/c1-12-21-15-10-13(20(24)23(2)3)11-17(19(15)22-12)25-16-8-9-26-18-7-5-4-6-14(16)18/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,22)
InChIKeyJZBAYJZZKHTSED-UHFFFAOYSA-N
XLogP4.19
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

N,N,2-trimethyl-8-phenyl-3,6,7,8-tetrahydropyrano[2,3-e]benzimidazole-5-carboxamide
CID 69135096
CID 58450291
CID 58450291
3,4-dihydro-2H-thiochromen-4-yl methanesulfonate
CID 102620882
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(2-methylphenoxy)propanamide
CID 25442457
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
4-(azetidin-3-yloxy)-2-methyl-1H-benzimidazole
CID 84671561
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976311
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3-(dimethylsulfamoyl)-4-methoxybenzamide
CID 9327585
(3-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(2-methyl-1H-imidazo[4,5-b]pyridin-6-yl)methanone
CID 86789111
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 62741615
N-(3,4-dihydro-2H-thiochromen-4-yl)-N-methylpiperidin-3-amine
CID 55249309
4-iodo-3,4-dihydro-2H-thiochromene
CID 70353401

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide (CID 58900198) is 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide is Cc1nc2c(OC3CCSc4ccccc43)cc(C(=O)N(C)C)cc2[nH]1.
What is the InChIKey of 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is JZBAYJZZKHTSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-21-15-10-13(20(24)23(2)3)11-17(19(15)22-12)25-16-8-9-26-18-7-5-4-6-14(16)18/h4-7,10-11,16H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide?
7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 367.47 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dihydro-2H-thiochromen-4-yloxy)-N,N,2-trimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58900198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).