4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C19H21N7 — CID 59279308

IUPAC4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCn1c(C2(N)CCN(c3ncnc4[nH]ccc34)CC2)nc2ccccc21
InChIInChI=1S/C19H21N7/c1-25-15-5-3-2-4-14(15)24-18(25)19(20)7-10-26(11-8-19)17-13-6-9-21-16(13)22-12-23-17/h2-6,9,12H,7-8,10-11,20H2,1H3,(H,21,22,23)
InChIKeyBEQDCDOHPJAVMF-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.30
Rot. Bonds2

About 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 59279308) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID59279308
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCn1c(C2(N)CCN(c3ncnc4[nH]ccc34)CC2)nc2ccccc21
InChIInChI=1S/C19H21N7/c1-25-15-5-3-2-4-14(15)24-18(25)19(20)7-10-26(11-8-19)17-13-6-9-21-16(13)22-12-23-17/h2-6,9,12H,7-8,10-11,20H2,1H3,(H,21,22,23)
InChIKeyBEQDCDOHPJAVMF-UHFFFAOYSA-N
XLogP2.30
TPSA88.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 59279308) is 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is Cn1c(C2(N)CCN(c3ncnc4[nH]ccc34)CC2)nc2ccccc21.
What is the InChIKey of 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is BEQDCDOHPJAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-25-15-5-3-2-4-14(15)24-18(25)19(20)7-10-26(11-8-19)17-13-6-9-21-16(13)22-12-23-17/h2-6,9,12H,7-8,10-11,20H2,1H3,(H,21,22,23).
What are the key properties of 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 347.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylbenzimidazol-2-yl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 59279308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).