1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea

C19H23N7O — CID 126428144

IUPAC1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
SMILESC[C@H](NC(=O)Nc1cccc(-c2cnc[nH]2)c1)c1nncn1C1CCCC1
InChIInChI=1S/C19H23N7O/c1-13(18-25-22-12-26(18)16-7-2-3-8-16)23-19(27)24-15-6-4-5-14(9-15)17-10-20-11-21-17/h4-6,9-13,16H,2-3,7-8H2,1H3,(H,20,21)(H2,23,24,27)/t13-/m0/s1
InChIKeyRTSRIQZQPPRBFJ-ZDUSSCGKSA-N
MW365.44 g/mol
LogP3.67
Rot. Bonds5

About 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea

1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea (PubChem CID 126428144) has the molecular formula C19H23N7O and a molecular weight of 365.44 g/mol. Its IUPAC name is 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
PubChem CID126428144
Molecular FormulaC19H23N7O
Molecular Weight365.44 g/mol
Exact Mass365.20
IUPAC Name1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
SMILESC[C@H](NC(=O)Nc1cccc(-c2cnc[nH]2)c1)c1nncn1C1CCCC1
InChIInChI=1S/C19H23N7O/c1-13(18-25-22-12-26(18)16-7-2-3-8-16)23-19(27)24-15-6-4-5-14(9-15)17-10-20-11-21-17/h4-6,9-13,16H,2-3,7-8H2,1H3,(H,20,21)(H2,23,24,27)/t13-/m0/s1
InChIKeyRTSRIQZQPPRBFJ-ZDUSSCGKSA-N
XLogP3.67
TPSA100.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-5-yl)phenyl]cyclopentanecarboxamide
CID 110668538
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-quinolin-8-ylurea
CID 125166001
3-[[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]carbamoylamino]-N,4-dimethylbenzamide
CID 125158221
3-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-N,4-dimethylbenzamide
CID 118768495
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-4-pyridin-4-ylbenzamide
CID 68512967
N-[(1R)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 125166249
2-anilino-N-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]pyrimidine-5-carboxamide
CID 125173992
1-ethyl-N-[3-(1H-imidazol-5-yl)phenyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 131926620
1-[3-(1H-imidazol-5-yl)phenyl]-3-(oxolan-2-ylmethyl)urea
CID 118764097
N-[1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-2-phenylsulfanylacetamide
CID 118773114
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea
CID 74240313
N-[3-(1H-imidazol-5-yl)phenyl]-3,3-dimethylbutanamide
CID 110668596

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea (CID 126428144) is 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea is C[C@H](NC(=O)Nc1cccc(-c2cnc[nH]2)c1)c1nncn1C1CCCC1.
What is the InChIKey of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea?
The InChIKey is RTSRIQZQPPRBFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23N7O/c1-13(18-25-22-12-26(18)16-7-2-3-8-16)23-19(27)24-15-6-4-5-14(9-15)17-10-20-11-21-17/h4-6,9-13,16H,2-3,7-8H2,1H3,(H,20,21)(H2,23,24,27)/t13-/m0/s1.
What are the key properties of 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea?
1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea has a molecular weight of 365.44 g/mol, XLogP of 3.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-cyclopentyl-1,2,4-triazol-3-yl)ethyl]-3-[3-(1H-imidazol-5-yl)phenyl]urea is sourced from PubChem (CID 126428144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).