N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

C17H28N4O — CID 91794714

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2(N3CCCC3)CCCCC2)[nH]1
InChIInChI=1S/C17H28N4O/c1-13-12-18-15(19-13)14(2)20-16(22)17(8-4-3-5-9-17)21-10-6-7-11-21/h12,14H,3-11H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyAHYWFOSZEVDPBW-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.69
Rot. Bonds4

About N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide

N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (PubChem CID 91794714) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
PubChem CID91794714
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide
SMILESCc1cnc(C(C)NC(=O)C2(N3CCCC3)CCCCC2)[nH]1
InChIInChI=1S/C17H28N4O/c1-13-12-18-15(19-13)14(2)20-16(22)17(8-4-3-5-9-17)21-10-6-7-11-21/h12,14H,3-11H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyAHYWFOSZEVDPBW-UHFFFAOYSA-N
XLogP2.69
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

((R)-1-Cyclohexylmethyl-2-{(S)-2-[3-(1H-imidazol-4-yl)-prop-2-ynylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethylamino)-acetic acid
CID 44326877
((R)-1-Dicyclohexylmethyl-2-{(S)-2-[3-(1H-imidazol-4-yl)-prop-2-ynylcarbamoyl]-pyrrolidin-1-yl}-2-oxo-ethyl)-carbamic acid methyl ester
CID 44326924
2-[(1S,3R,5S)-3-(1H-imidazol-5-ylmethyl)-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
CID 10041583
2-[(1S,3S,5S)-3-(1H-imidazol-5-ylmethyl)-5-[[(2S)-5-oxopyrrolidin-2-yl]methyl]cyclohexyl]acetamide
CID 10245338
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[3-(1H-imidazol-5-yl)propyl]pyrrolidine-2-carboxamide
CID 10253084
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[4-(1H-imidazol-5-yl)butyl]pyrrolidine-2-carboxamide
CID 44326370
(2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]-N-[2-(1H-imidazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 44326378
(2S)-1-[(2S)-2-(2S)-6-oxohexahydro-2-pyridinylcarboxamido]-3-(2-cyclohexyl-1H-imidazolyl)propanoyl]-azalone-2-carboxamide
CID 44422091
2-cyclopentyl-N-[rel-(3R,4S)-4-cyclopropyl-1-(1H-imidazol-4-ylmethyl)-3-pyrrolidinyl]acetamide dihydrochloride
CID 72838211
9-(Cyclopropylmethyl)-1-methyl-4-[(4-methyl-1H-imidazol-2-YL)methyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
CID 72861225
2-cyclobutyl-N-[rel-(3R,4S)-1-(1H-imidazol-4-ylmethyl)-4-isopropyl-3-pyrrolidinyl]acetamide dihydrochloride
CID 72935029
2-[8-(1H-imidazol-5-ylmethyl)-1,8-diazaspiro[4.5]decan-1-yl]-N-methylacetamide
CID 97396907

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide (CID 91794714) is N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is Cc1cnc(C(C)NC(=O)C2(N3CCCC3)CCCCC2)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is AHYWFOSZEVDPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-12-18-15(19-13)14(2)20-16(22)17(8-4-3-5-9-17)21-10-6-7-11-21/h12,14H,3-11H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide?
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-pyrrolidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91794714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).