N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

C21H28N4O — CID 99940755

IUPACN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-24-16-13-22-19(24)18(17-9-3-2-4-10-17)23-20(26)21(11-5-6-12-21)25-14-7-8-15-25/h2-4,9-10,13,16,18H,5-8,11-12,14-15H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyVCLMOIVJICRPHT-SFHVURJKSA-N
MW352.48 g/mol
LogP3.03
Rot. Bonds5

About N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (PubChem CID 99940755) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
PubChem CID99940755
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
SMILESCn1ccnc1[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1ccccc1
InChIInChI=1S/C21H28N4O/c1-24-16-13-22-19(24)18(17-9-3-2-4-10-17)23-20(26)21(11-5-6-12-21)25-14-7-8-15-25/h2-4,9-10,13,16,18H,5-8,11-12,14-15H2,1H3,(H,23,26)/t18-/m0/s1
InChIKeyVCLMOIVJICRPHT-SFHVURJKSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[phenyl(thiophen-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 131924641
N-[(1-methylimidazol-2-yl)-phenylmethyl]-2-piperidin-1-ylacetamide
CID 17490913
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]cyclohexanecarboxamide
CID 25341826
3-(azepan-1-yl)-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 125160043
N-[(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91778355
4-(azepan-1-yl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 90652611
N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
CID 118794152
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
N-[2-[[(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 42883960
2-(methylamino)-N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-thiazole-4-carboxamide
CID 77084721
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide (CID 99940755) is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is Cn1ccnc1[C@@H](NC(=O)C1(N2CCCC2)CCCC1)c1ccccc1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
The InChIKey is VCLMOIVJICRPHT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-16-13-22-19(24)18(17-9-3-2-4-10-17)23-20(26)21(11-5-6-12-21)25-14-7-8-15-25/h2-4,9-10,13,16,18H,5-8,11-12,14-15H2,1H3,(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide?
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 99940755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).