(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate

C19H16N4O5 — CID 13232339

IUPAC(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate
SMILESNC(=O)c1[nH]cnc1OC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H16N4O5/c20-16(24)15-17(22-11-21-15)28-18(25)13-6-8-14(9-7-13)23-19(26)27-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,24)(H,21,22)(H,23,26)
InChIKeyLPOFVXRLELCERP-UHFFFAOYSA-N
MW380.36 g/mol
LogP2.48
Rot. Bonds6

About (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate

(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate (PubChem CID 13232339) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate.

Molecular Properties

Compound Name(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate
PubChem CID13232339
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate
SMILESNC(=O)c1[nH]cnc1OC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C19H16N4O5/c20-16(24)15-17(22-11-21-15)28-18(25)13-6-8-14(9-7-13)23-19(26)27-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,24)(H,21,22)(H,23,26)
InChIKeyLPOFVXRLELCERP-UHFFFAOYSA-N
XLogP2.48
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-(4-acetylphenyl)carbamate
CID 2994007
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351
2-[5-(phenylmethoxycarbonylamino)-2-pyridinyl]acetic acid
CID 107338260
(5-carbamoyl-1H-imidazol-4-yl) 4-nitrobenzoate
CID 12790395
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-(tetrazol-1-yl)phenyl]carbamate
CID 122584873
benzyl N-[4-(2-aminoethyl)phenyl]carbamate
CID 86810400
benzyl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 134102882
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
benzyl N-(4-cyanophenyl)carbamate
CID 4935649

Frequently Asked Questions

What is the IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate?
The IUPAC name of (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate (CID 13232339) is (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate.
What is the SMILES notation for (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate?
The canonical SMILES for (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate is NC(=O)c1[nH]cnc1OC(=O)c1ccc(NC(=O)OCc2ccccc2)cc1.
What is the InChIKey of (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate?
The InChIKey is LPOFVXRLELCERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c20-16(24)15-17(22-11-21-15)28-18(25)13-6-8-14(9-7-13)23-19(26)27-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H2,20,24)(H,21,22)(H,23,26).
What are the key properties of (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate?
(5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate has a molecular weight of 380.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-carbamoyl-1H-imidazol-4-yl) 4-(phenylmethoxycarbonylamino)benzoate is sourced from PubChem (CID 13232339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).