[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone

C22H26N4O — CID 25030983

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3
InChIKeyKOTPMHSELVJHPI-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.17
Rot. Bonds4

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone (PubChem CID 25030983) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone
PubChem CID25030983
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone
SMILESCc1nc2ccccc2n1Cc1ccc(C(=O)N2CCC(N(C)C)C2)cc1
InChIInChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3
InChIKeyKOTPMHSELVJHPI-UHFFFAOYSA-N
XLogP3.17
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone (CID 25030983) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone is Cc1nc2ccccc2n1Cc1ccc(C(=O)N2CCC(N(C)C)C2)cc1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
The InChIKey is KOTPMHSELVJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-23-20-6-4-5-7-21(20)26(16)14-17-8-10-18(11-9-17)22(27)25-13-12-19(15-25)24(2)3/h4-11,19H,12-15H2,1-3H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone has a molecular weight of 362.48 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 25030983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).