(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone

C19H19BrN4O — CID 110643369

IUPAC(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2[nH]1
InChIInChI=1S/C19H19BrN4O/c1-13-21-17-6-5-16(12-18(17)22-13)23-7-9-24(10-8-23)19(25)14-3-2-4-15(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
InChIKeyYAPFMFIIBUVSSW-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.60
Rot. Bonds2

About (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone

(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone (PubChem CID 110643369) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
PubChem CID110643369
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2[nH]1
InChIInChI=1S/C19H19BrN4O/c1-13-21-17-6-5-16(12-18(17)22-13)23-7-9-24(10-8-23)19(25)14-3-2-4-15(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22)
InChIKeyYAPFMFIIBUVSSW-UHFFFAOYSA-N
XLogP3.60
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643374
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 110692487
3-[4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carbonyl]benzonitrile
CID 110643372
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
(3-bromophenyl)-[4-(3-chloro-4-methylphenyl)piperazin-1-yl]methanone
CID 113076847
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
(2-methyl-3H-benzimidazol-5-yl)-[4-(2-methylbenzoyl)piperazin-1-yl]methanone
CID 110802143
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone (CID 110643369) is (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone is Cc1nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2[nH]1.
What is the InChIKey of (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is YAPFMFIIBUVSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-13-21-17-6-5-16(12-18(17)22-13)23-7-9-24(10-8-23)19(25)14-3-2-4-15(20)11-14/h2-6,11-12H,7-10H2,1H3,(H,21,22).
What are the key properties of (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone?
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 399.29 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 110643369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).