N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide

C21H18ClN3O3 — CID 46964846

IUPACN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)cc(=O)c2cc1C
InChIInChI=1S/C21H18ClN3O3/c1-11-6-14-17(26)9-19(28-18(14)7-12(11)2)21(27)25(3)10-20-23-15-5-4-13(22)8-16(15)24-20/h4-9H,10H2,1-3H3,(H,23,24)
InChIKeyKMCBYIMMYLZUTR-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.21
Rot. Bonds3

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide (PubChem CID 46964846) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide
PubChem CID46964846
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC NameN-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide
SMILESCc1cc2oc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)cc(=O)c2cc1C
InChIInChI=1S/C21H18ClN3O3/c1-11-6-14-17(26)9-19(28-18(14)7-12(11)2)21(27)25(3)10-20-23-15-5-4-13(22)8-16(15)24-20/h4-9H,10H2,1-3H3,(H,23,24)
InChIKeyKMCBYIMMYLZUTR-UHFFFAOYSA-N
XLogP4.21
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72922696
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 57361833
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 46964835
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)acetamide
CID 72936130
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methylethanesulfonamide
CID 131946800
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]triazole-4-carboxamide
CID 56900034
(3R,6S)-6-amino-N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-1-(oxan-4-yl)azepane-3-carboxamide
CID 165427100
N,1,4,6-tetramethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxopyridine-3-carboxamide
CID 50974880
N,4,6-trimethyl-N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56722109
N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46993360
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-5-propylpyrazolidine-3-carboxamide
CID 75258578
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-[(3S)-pyrrolidin-3-yl]acetamide
CID 125174045

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide (CID 46964846) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide is Cc1cc2oc(C(=O)N(C)Cc3nc4ccc(Cl)cc4[nH]3)cc(=O)c2cc1C.
What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide?
The InChIKey is KMCBYIMMYLZUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-11-6-14-17(26)9-19(28-18(14)7-12(11)2)21(27)25(3)10-20-23-15-5-4-13(22)8-16(15)24-20/h4-9H,10H2,1-3H3,(H,23,24).
What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide?
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-N,6,7-trimethyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 46964846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).