[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone

C23H23N5O — CID 138989777

IUPAC[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone
SMILESCc1nc2ccccc2n1CC1CCCN1C(=O)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C23H23N5O/c1-17-25-20-11-5-6-12-22(20)28(17)14-19-10-7-13-27(19)23(29)21-15-26(16-24-21)18-8-3-2-4-9-18/h2-6,8-9,11-12,15-16,19H,7,10,13-14H2,1H3
InChIKeyBJQPZSGRTNRLCQ-UHFFFAOYSA-N
MW385.47 g/mol
LogP3.84
Rot. Bonds4

About [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone

[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone (PubChem CID 138989777) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone
PubChem CID138989777
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone
SMILESCc1nc2ccccc2n1CC1CCCN1C(=O)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C23H23N5O/c1-17-25-20-11-5-6-12-22(20)28(17)14-19-10-7-13-27(19)23(29)21-15-26(16-24-21)18-8-3-2-4-9-18/h2-6,8-9,11-12,15-16,19H,7,10,13-14H2,1H3
InChIKeyBJQPZSGRTNRLCQ-UHFFFAOYSA-N
XLogP3.84
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
The IUPAC name of [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone (CID 138989777) is [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
The canonical SMILES for [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone is Cc1nc2ccccc2n1CC1CCCN1C(=O)c1cn(-c2ccccc2)cn1.
What is the InChIKey of [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
The InChIKey is BJQPZSGRTNRLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-17-25-20-11-5-6-12-22(20)28(17)14-19-10-7-13-27(19)23(29)21-15-26(16-24-21)18-8-3-2-4-9-18/h2-6,8-9,11-12,15-16,19H,7,10,13-14H2,1H3.
What are the key properties of [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone?
[2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone has a molecular weight of 385.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methylbenzimidazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 138989777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).