[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone

C20H29N5O — CID 53214129

IUPAC[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1c(CN2CCNCC2)nc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C20H29N5O/c1-15(2)25-18-6-5-16(20(26)24-9-3-4-10-24)13-17(18)22-19(25)14-23-11-7-21-8-12-23/h5-6,13,15,21H,3-4,7-12,14H2,1-2H3
InChIKeyLQHQFDLJTYVVAX-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.26
Rot. Bonds4

About [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone

[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 53214129) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID53214129
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone
SMILESCC(C)n1c(CN2CCNCC2)nc2cc(C(=O)N3CCCC3)ccc21
InChIInChI=1S/C20H29N5O/c1-15(2)25-18-6-5-16(20(26)24-9-3-4-10-24)13-17(18)22-19(25)14-23-11-7-21-8-12-23/h5-6,13,15,21H,3-4,7-12,14H2,1-2H3
InChIKeyLQHQFDLJTYVVAX-UHFFFAOYSA-N
XLogP2.26
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]benzamide
CID 50745138
4-fluoro-N-[2-(piperidin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]benzamide
CID 53207572
(4-tert-butylphenyl)-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]methanone
CID 50822440
3-methyl-N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 50745125
N-[1-propan-2-yl-2-(pyrrolidin-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 53207693
3-methyl-1-[4-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800921
2-(3-fluorophenyl)-1-[4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 50822576
N-(3,5-dimethylphenyl)-4-[[1-methyl-5-(pyrrolidine-1-carbonyl)benzimidazol-2-yl]methyl]piperazine-1-carboxamide
CID 50824034
1-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperidine-4-carboxamide
CID 110765911
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
1-propan-2-yl-2-propylbenzimidazole-5-carboxylic acid
CID 43322841
2,2-dimethyl-1-[4-(2-methyl-1-propan-2-ylbenzimidazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 110801500

Frequently Asked Questions

What is the IUPAC name of [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone (CID 53214129) is [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone is CC(C)n1c(CN2CCNCC2)nc2cc(C(=O)N3CCCC3)ccc21.
What is the InChIKey of [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LQHQFDLJTYVVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-15(2)25-18-6-5-16(20(26)24-9-3-4-10-24)13-17(18)22-19(25)14-23-11-7-21-8-12-23/h5-6,13,15,21H,3-4,7-12,14H2,1-2H3.
What are the key properties of [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone?
[2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 355.49 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperazin-1-ylmethyl)-1-propan-2-ylbenzimidazol-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 53214129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).