1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine

C17H18BrN3 — CID 17272639

IUPAC1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine
SMILES[H]/N=c1\n(CCC)c2ccccc2n1Cc1ccccc1Br
InChIInChI=1S/C17H18BrN3/c1-2-11-20-15-9-5-6-10-16(15)21(17(20)19)12-13-7-3-4-8-14(13)18/h3-10,19H,2,11-12H2,1H3/b19-17+
InChIKeyPETUNWGRZGICOB-HTXNQAPBSA-N
MW344.26 g/mol
LogP4.14
Rot. Bonds4

About 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine

1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine (PubChem CID 17272639) has the molecular formula C17H18BrN3 and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine
PubChem CID17272639
Molecular FormulaC17H18BrN3
Molecular Weight344.26 g/mol
Exact Mass343.07
IUPAC Name1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine
SMILES[H]/N=c1\n(CCC)c2ccccc2n1Cc1ccccc1Br
InChIInChI=1S/C17H18BrN3/c1-2-11-20-15-9-5-6-10-16(15)21(17(20)19)12-13-7-3-4-8-14(13)18/h3-10,19H,2,11-12H2,1H3/b19-17+
InChIKeyPETUNWGRZGICOB-HTXNQAPBSA-N
XLogP4.14
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.26
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine (CID 17272639) is 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine is [H]/N=c1\n(CCC)c2ccccc2n1Cc1ccccc1Br.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine?
The InChIKey is PETUNWGRZGICOB-HTXNQAPBSA-N. The full InChI is InChI=1S/C17H18BrN3/c1-2-11-20-15-9-5-6-10-16(15)21(17(20)19)12-13-7-3-4-8-14(13)18/h3-10,19H,2,11-12H2,1H3/b19-17+.
What are the key properties of 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine?
1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine has a molecular weight of 344.26 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-propylbenzimidazol-2-imine is sourced from PubChem (CID 17272639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).