3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide

C13H14ClN5O — CID 143778390

IUPAC3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide
SMILESN/C(=N\CCc1cnc[nH]1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN5O/c14-10-3-1-2-9(6-10)12(20)19-13(15)17-5-4-11-7-16-8-18-11/h1-3,6-8H,4-5H2,(H,16,18)(H3,15,17,19,20)
InChIKeyGYWZLTWUNIDUFF-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.35
Rot. Bonds4

About 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide

3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide (PubChem CID 143778390) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide
PubChem CID143778390
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide
SMILESN/C(=N\CCc1cnc[nH]1)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN5O/c14-10-3-1-2-9(6-10)12(20)19-13(15)17-5-4-11-7-16-8-18-11/h1-3,6-8H,4-5H2,(H,16,18)(H3,15,17,19,20)
InChIKeyGYWZLTWUNIDUFF-UHFFFAOYSA-N
XLogP1.35
TPSA96.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-Chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2842664
3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2848220
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbenzamide
CID 7694012
8-chloranyl-2-[3-[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]propyl]-3~{H}-quinazolin-4-one
CID 156596362
3,5-dichloro-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 16239233
4-(5-{[1-(3-Chloro-benzoyl)-pyrrolidin-3-ylamino]-methyl}-imidazol-1-ylmethyl)-benzonitrile
CID 10895064
(S)-3-amino-1-(4-chlorophenyl)-4-(1H-imidazol-4-yl)butan-2-one dihydrochloride
CID 44307539
6-chloro-3-(1H-imidazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 44453908
5-(2-aminopyrimidin-4-yl)-2-(3-chlorophenyl)-1H-pyrrole-3-carboxamide
CID 57659282
US11845740, No X
CID 146458550
2-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 3111219
4-(3-chlorophenyl)-1H-imidazole-5-carboxamide
CID 16658820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide?
The IUPAC name of 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide (CID 143778390) is 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide.
What is the SMILES notation for 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide?
The canonical SMILES for 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide is N/C(=N\CCc1cnc[nH]1)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide?
The InChIKey is GYWZLTWUNIDUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O/c14-10-3-1-2-9(6-10)12(20)19-13(15)17-5-4-11-7-16-8-18-11/h1-3,6-8H,4-5H2,(H,16,18)(H3,15,17,19,20).
What are the key properties of 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide?
3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide has a molecular weight of 291.74 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]benzamide is sourced from PubChem (CID 143778390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).