N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

C19H21ClN4O — CID 171518864

IUPACN-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(CCn4ccnc4)cc3[nH]2)CC1
InChIInChI=1S/C19H21ClN4O/c1-19(3-4-19)18(25)22-11-15-8-14-9-16(20)13(10-17(14)23-15)2-6-24-7-5-21-12-24/h5,7-10,12,23H,2-4,6,11H2,1H3,(H,22,25)
InChIKeyWXHSPCNAVGIPGI-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.68
Rot. Bonds6

About N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide

N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (PubChem CID 171518864) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
PubChem CID171518864
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC NameN-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)NCc2cc3cc(Cl)c(CCn4ccnc4)cc3[nH]2)CC1
InChIInChI=1S/C19H21ClN4O/c1-19(3-4-19)18(25)22-11-15-8-14-9-16(20)13(10-17(14)23-15)2-6-24-7-5-21-12-24/h5,7-10,12,23H,2-4,6,11H2,1H3,(H,22,25)
InChIKeyWXHSPCNAVGIPGI-UHFFFAOYSA-N
XLogP3.68
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-chloro-6-(2-methoxyethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518927
N-[[5,6-di(propan-2-yl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171519678
N-[[5-chloro-6-(3H-pyrrol-5-ylmethoxy)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171518747
N-[[5-methoxy-6-[2-(2H-pyrrol-5-yl)ethyl]-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide
CID 171517838
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 171731918
1-methyl-N-[[5-methyl-6-[(5-methyl-1,2-oxazol-3-yl)methoxy]-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171517859
1-methyl-N-[[6-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518968
N-[[5-chloro-6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]-1-(trideuteriomethyl)cyclopropane-1-carboxamide
CID 171518053
1-[(4-chloro-3-methylphenyl)methyl]-3-(2-imidazol-1-ylethyl)urea
CID 75521301
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-4,4-difluoro-1-methylpyrrolidine-2-carboxamide
CID 171519418
N-[(5-chloro-6-propan-2-yl-1H-indol-2-yl)methyl]-2-hydroxypropanamide
CID 171731951
1-methyl-N-[[6-(1,3-thiazol-4-ylmethoxy)-1H-indol-2-yl]methyl]cyclopropane-1-carboxamide
CID 171518196

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide (CID 171518864) is N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is CC1(C(=O)NCc2cc3cc(Cl)c(CCn4ccnc4)cc3[nH]2)CC1.
What is the InChIKey of N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
The InChIKey is WXHSPCNAVGIPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O/c1-19(3-4-19)18(25)22-11-15-8-14-9-16(20)13(10-17(14)23-15)2-6-24-7-5-21-12-24/h5,7-10,12,23H,2-4,6,11H2,1H3,(H,22,25).
What are the key properties of N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide?
N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide has a molecular weight of 356.86 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2-imidazol-1-ylethyl)-1H-indol-2-yl]methyl]-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 171518864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).