N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide

C21H20ClN3O2 — CID 25338137

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide
SMILESCC(C)[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20ClN3O2/c1-12(2)19(20-23-16-5-3-4-6-17(16)24-20)25-21(26)14-9-13-10-15(22)7-8-18(13)27-11-14/h3-10,12,19H,11H2,1-2H3,(H,23,24)(H,25,26)/t19-/m0/s1
InChIKeyIATKAYFOPLWDGT-IBGZPJMESA-N
MW381.86 g/mol
LogP4.51
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide (PubChem CID 25338137) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide
PubChem CID25338137
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide
SMILESCC(C)[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C21H20ClN3O2/c1-12(2)19(20-23-16-5-3-4-6-17(16)24-20)25-21(26)14-9-13-10-15(22)7-8-18(13)27-11-14/h3-10,12,19H,11H2,1-2H3,(H,23,24)(H,25,26)/t19-/m0/s1
InChIKeyIATKAYFOPLWDGT-IBGZPJMESA-N
XLogP4.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-chlorobenzamide
CID 3701693
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-chloro-2-methoxybenzamide
CID 95248304
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,4-dichloro-5-fluorobenzamide
CID 134059923
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-fluorobenzamide
CID 4779807
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 23474627
3-[(6-chloro-2H-chromene-3-carbonyl)amino]butanoic acid
CID 43242074
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 4876620
N-[1-(1H-benzimidazol-2-yl)ethyl]-5-chloro-2-fluorobenzamide
CID 17459446
6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
CID 47013832
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-bromobenzamide
CID 8927969
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550032
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 71827898

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide (CID 25338137) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide is CC(C)[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide?
The InChIKey is IATKAYFOPLWDGT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-12(2)19(20-23-16-5-3-4-6-17(16)24-20)25-21(26)14-9-13-10-15(22)7-8-18(13)27-11-14/h3-10,12,19H,11H2,1-2H3,(H,23,24)(H,25,26)/t19-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-6-chloro-2H-chromene-3-carboxamide is sourced from PubChem (CID 25338137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).