1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide

C20H22FN5O2 — CID 20974974

IUPAC1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H22FN5O2/c1-13(2)24-19(27)14-6-7-18-17(10-14)23-12-26(18)9-8-22-20(28)25-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,24,27)(H2,22,25,28)
InChIKeyFXGFBOXQPBNUBJ-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.14
Rot. Bonds6

About 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide

1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide (PubChem CID 20974974) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
PubChem CID20974974
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
SMILESCC(C)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H22FN5O2/c1-13(2)24-19(27)14-6-7-18-17(10-14)23-12-26(18)9-8-22-20(28)25-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,24,27)(H2,22,25,28)
InChIKeyFXGFBOXQPBNUBJ-UHFFFAOYSA-N
XLogP3.14
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(4-fluorophenyl)methylcarbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20975005
N-(3-chloro-2-methylphenyl)-1-[2-(propan-2-ylcarbamoylamino)ethyl]benzimidazole-5-carboxamide
CID 50849196
1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974932
1-(4-fluorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974888
1-(3-bromophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 50833018
1-[2-(phenylcarbamoylamino)ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121084
methyl 3-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121135
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
CID 20974969
1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 20974967
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121111
1-(4-chlorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974867
N-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-2-methylpropanamide
CID 47192808

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide (CID 20974974) is 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide is CC(C)NC(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1cccc(F)c1.
What is the InChIKey of 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
The InChIKey is FXGFBOXQPBNUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-13(2)24-19(27)14-6-7-18-17(10-14)23-12-26(18)9-8-22-20(28)25-16-5-3-4-15(21)11-16/h3-7,10-13H,8-9H2,1-2H3,(H,24,27)(H2,22,25,28).
What are the key properties of 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide?
1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide has a molecular weight of 383.43 g/mol, XLogP of 3.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide is sourced from PubChem (CID 20974974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).