1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide

C21H24BrN5O2 — CID 20974969

IUPAC1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H24BrN5O2/c1-3-26(4-2)20(28)15-5-10-19-18(13-15)24-14-27(19)12-11-23-21(29)25-17-8-6-16(22)7-9-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,23,25,29)
InChIKeyQNABEUFWCRREAP-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.10
Rot. Bonds7

About 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide

1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide (PubChem CID 20974969) has the molecular formula C21H24BrN5O2 and a molecular weight of 458.36 g/mol. Its IUPAC name is 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
PubChem CID20974969
Molecular FormulaC21H24BrN5O2
Molecular Weight458.36 g/mol
Exact Mass457.11
IUPAC Name1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C21H24BrN5O2/c1-3-26(4-2)20(28)15-5-10-19-18(13-15)24-14-27(19)12-11-23-21(29)25-17-8-6-16(22)7-9-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,23,25,29)
InChIKeyQNABEUFWCRREAP-UHFFFAOYSA-N
XLogP4.10
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-1-[2-(phenylcarbamoylamino)ethyl]benzotriazole-5-carboxamide
CID 53121059
1-(4-fluorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974888
1-(4-chlorophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974867
1-(3-bromophenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 50833018
1-[2-(butan-2-ylcarbamoylamino)ethyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 20974967
1-[2-[(3-fluorophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzimidazole-5-carboxamide
CID 20974974
1-(2-ethylphenyl)-3-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974914
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121111
1-(3-methoxyphenyl)-3-[2-[5-(piperidine-1-carbonyl)benzimidazol-1-yl]ethyl]urea
CID 20974932
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
1-[2-[5-(pyrrolidine-1-carbonyl)benzimidazol-1-yl]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20974870
4-[[4-(4-bromophenyl)-4-oxobutanoyl]amino]-N,N-diethylbenzamide
CID 34542934

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide (CID 20974969) is 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)ncn2CCNC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide?
The InChIKey is QNABEUFWCRREAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN5O2/c1-3-26(4-2)20(28)15-5-10-19-18(13-15)24-14-27(19)12-11-23-21(29)25-17-8-6-16(22)7-9-17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H2,23,25,29).
What are the key properties of 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide?
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide has a molecular weight of 458.36 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N,N-diethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 20974969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).