N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide

C20H24N4O — CID 5074023

IUPACN-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N(Cc2cnc[nH]2)C2CCCCC2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-23-13-18(17-9-5-6-10-19(17)23)20(25)24(12-15-11-21-14-22-15)16-7-3-2-4-8-16/h5-6,9-11,13-14,16H,2-4,7-8,12H2,1H3,(H,21,22)
InChIKeyMKCMVVOYUDAXCF-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.88
Rot. Bonds4

About N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide

N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide (PubChem CID 5074023) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide
PubChem CID5074023
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide
SMILESCn1cc(C(=O)N(Cc2cnc[nH]2)C2CCCCC2)c2ccccc21
InChIInChI=1S/C20H24N4O/c1-23-13-18(17-9-5-6-10-19(17)23)20(25)24(12-15-11-21-14-22-15)16-7-3-2-4-8-16/h5-6,9-11,13-14,16H,2-4,7-8,12H2,1H3,(H,21,22)
InChIKeyMKCMVVOYUDAXCF-UHFFFAOYSA-N
XLogP3.88
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-1-methylindole-3-carboxamide
CID 34179436
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CID 65058560
2-cyclohexyl-1-(1-methylindol-3-yl)ethanone
CID 43161950
2-[carboxymethyl-(1-methylindole-3-carbonyl)amino]acetic acid
CID 63650839
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
N-benzyl-N-cyclopropyl-2-methyl-1-oxoisoquinoline-4-carboxamide
CID 171682087
N-cyclopentyl-1-methylindole-3-carboxamide
CID 9209194
4-[methyl-(1-methylindole-3-carbonyl)amino]butanoic acid
CID 43360106
N-(1H-imidazol-5-ylmethyl)-5-methyl-N-(4-phenylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 42786826
N-[(2-hydroxycyclohexyl)methyl]-1-methylindole-3-carboxamide
CID 64911107
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
2-(1-methylindol-3-yl)-2-oxoacetamide
CID 594179

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide (CID 5074023) is N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide is Cn1cc(C(=O)N(Cc2cnc[nH]2)C2CCCCC2)c2ccccc21.
What is the InChIKey of N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide?
The InChIKey is MKCMVVOYUDAXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-23-13-18(17-9-5-6-10-19(17)23)20(25)24(12-15-11-21-14-22-15)16-7-3-2-4-8-16/h5-6,9-11,13-14,16H,2-4,7-8,12H2,1H3,(H,21,22).
What are the key properties of N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide?
N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(1H-imidazol-5-ylmethyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 5074023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).