N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

C22H28N4O — CID 42778811

IUPACN-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(CC1CCCCC1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H28N4O/c1-25-12-11-23-21(25)16-26(15-17-7-3-2-4-8-17)22(27)13-18-14-24-20-10-6-5-9-19(18)20/h5-6,9-12,14,17,24H,2-4,7-8,13,15-16H2,1H3
InChIKeyXBFGCYQRXJXDFZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.05
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide

N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (PubChem CID 42778811) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
PubChem CID42778811
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
SMILESCn1ccnc1CN(CC1CCCCC1)C(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H28N4O/c1-25-12-11-23-21(25)16-26(15-17-7-3-2-4-8-17)22(27)13-18-14-24-20-10-6-5-9-19(18)20/h5-6,9-12,14,17,24H,2-4,7-8,13,15-16H2,1H3
InChIKeyXBFGCYQRXJXDFZ-UHFFFAOYSA-N
XLogP4.05
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 42778803
3-(1H-indol-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 86908150
2-[cyclopropylmethyl-[2-(1H-indol-3-yl)acetyl]amino]acetic acid
CID 43655190
N-(cyclopropylmethyl)-2-(1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 115532673
N-[2-(1H-indol-3-yl)ethyl]-1-methyl-N-[(1-methylimidazol-2-yl)methyl]indole-2-carboxamide
CID 42796907
3-[5-[2-(1H-indol-3-yl)ethyl]-1,3,4-oxadiazol-2-yl]-N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-ylpropanamide
CID 42195341
3-cyclohexyl-1-(1H-indol-3-ylmethyl)-1-methylurea
CID 110749007
N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-2-oxopropanamide
CID 91562917
N-cyclopropyl-2-(1H-indol-3-yl)-N-methylacetamide
CID 43421962
N-cyclohexyl-2-(N-[2-(1H-indol-3-yl)acetyl]-4-methylanilino)-2-pyridin-3-ylacetamide
CID 3190864
(2S)-2-amino-N-(cyclohexylmethyl)-3-(1H-indol-3-yl)-N-methylpropanamide
CID 119956327
(2R)-N-cyclopentyl-2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-methylbutanamide
CID 7012221

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide (CID 42778811) is N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is Cn1ccnc1CN(CC1CCCCC1)C(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
The InChIKey is XBFGCYQRXJXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-25-12-11-23-21(25)16-26(15-17-7-3-2-4-8-17)22(27)13-18-14-24-20-10-6-5-9-19(18)20/h5-6,9-12,14,17,24H,2-4,7-8,13,15-16H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide?
N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide has a molecular weight of 364.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1H-indol-3-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 42778811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).